5-(chloromethyl)-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-(hydroxymethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-[(3-oxopiperazin-1-yl)methyl]-1,8-naphthyridine-3-carboxamide;piperidin-2-one

C81H89Cl4N15O12 — CID 159876707

About 5-(chloromethyl)-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-(hydroxymethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-[(3-oxopiperazin-1-yl)methyl]-1,8-naphthyridine-3-carboxamide;piperidin-2-one

5-(chloromethyl)-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-(hydroxymethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-[(3-oxopiperazin-1-yl)methyl]-1,8-naphthyridine-3-carboxamide;piperidin-2-one (PubChem CID 159876707) has the molecular formula C81H89Cl4N15O12 and a molecular weight of 1606.51 g/mol. Its IUPAC name is 5-(chloromethyl)-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-(hydroxymethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-[(3-oxopiperazin-1-yl)methyl]-1,8-naphthyridine-3-carboxamide;piperidin-2-one.

Molecular Properties

• Compound Name: 5-(chloromethyl)-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-(hydroxymethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-[(3-oxopiperazin-1-yl)methyl]-1,8-naphthyridine-3-carboxamide;piperidin-2-one
• PubChem CID: 159876707
• Molecular Formula: C81H89Cl4N15O12
• Molecular Weight: 1606.51 g/mol
• Exact Mass: 1603.56
• IUPAC Name: 5-(chloromethyl)-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-(hydroxymethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-[(3-oxopiperazin-1-yl)methyl]-1,8-naphthyridine-3-carboxamide;piperidin-2-one
• SMILES: CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(CCl)ccnc32)C1.CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(CN4CCNC(=O)C4)ccnc32)C1.CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(CO)ccnc32)C1.O=C1CCCCN1
• InChI: InChI=1S/C28H31ClN6O4.C24H24Cl2N4O3.C24H25ClN4O4.C5H9NO/c1-28(2)16-34(17-28)24(37)15-35-25-21(19(7-8-31-25)13-33-10-9-30-23(36)14-33)11-22(27(35)39)26(38)32-12-18-3-5-20(29)6-4-18;1-24(2)13-29(14-24)20(31)12-30-21-18(16(10-25)7-8-27-21)9-19(23(30)33)22(32)28-11-15-3-5-17(26)6-4-15;1-24(2)13-28(14-24)20(31)11-29-21-18(16(12-30)7-8-26-21)9-19(23(29)33)22(32)27-10-15-3-5-17(25)6-4-15;7-5-3-1-2-4-6-5/h3-8,11H,9-10,12-17H2,1-2H3,(H,30,36)(H,32,38);3-9H,10-14H2,1-2H3,(H,28,32);3-9,30H,10-14H2,1-2H3,(H,27,32);1-4H2,(H,6,7)
• InChIKey: NSZNNSHHSZDQAH-UHFFFAOYSA-N
• XLogP: 7.99
• TPSA: 334.57 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 19
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1606.51
LogP ≤ 5	7.99
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-(hydroxymethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-[(3-oxopiperazin-1-yl)methyl]-1,8-naphthyridine-3-carboxamide;piperidin-2-one?

The IUPAC name of 5-(chloromethyl)-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-(hydroxymethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-[(3-oxopiperazin-1-yl)methyl]-1,8-naphthyridine-3-carboxamide;piperidin-2-one (CID 159876707) is 5-(chloromethyl)-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-(hydroxymethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-[(3-oxopiperazin-1-yl)methyl]-1,8-naphthyridine-3-carboxamide;piperidin-2-one.

What is the SMILES notation for 5-(chloromethyl)-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-(hydroxymethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-[(3-oxopiperazin-1-yl)methyl]-1,8-naphthyridine-3-carboxamide;piperidin-2-one?

The canonical SMILES for 5-(chloromethyl)-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-(hydroxymethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-[(3-oxopiperazin-1-yl)methyl]-1,8-naphthyridine-3-carboxamide;piperidin-2-one is CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(CCl)ccnc32)C1.CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(CN4CCNC(=O)C4)ccnc32)C1.CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(CO)ccnc32)C1.O=C1CCCCN1.

What is the InChIKey of 5-(chloromethyl)-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-(hydroxymethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-[(3-oxopiperazin-1-yl)methyl]-1,8-naphthyridine-3-carboxamide;piperidin-2-one?

The InChIKey is NSZNNSHHSZDQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN6O4.C24H24Cl2N4O3.C24H25ClN4O4.C5H9NO/c1-28(2)16-34(17-28)24(37)15-35-25-21(19(7-8-31-25)13-33-10-9-30-23(36)14-33)11-22(27(35)39)26(38)32-12-18-3-5-20(29)6-4-18;1-24(2)13-29(14-24)20(31)12-30-21-18(16(10-25)7-8-27-21)9-19(23(30)33)22(32)28-11-15-3-5-17(26)6-4-15;1-24(2)13-28(14-24)20(31)11-29-21-18(16(12-30)7-8-26-21)9-19(23(29)33)22(32)27-10-15-3-5-17(25)6-4-15;7-5-3-1-2-4-6-5/h3-8,11H,9-10,12-17H2,1-2H3,(H,30,36)(H,32,38);3-9H,10-14H2,1-2H3,(H,28,32);3-9,30H,10-14H2,1-2H3,(H,27,32);1-4H2,(H,6,7).

What are the key properties of 5-(chloromethyl)-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-(hydroxymethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-[(3-oxopiperazin-1-yl)methyl]-1,8-naphthyridine-3-carboxamide;piperidin-2-one?

5-(chloromethyl)-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-(hydroxymethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-[(3-oxopiperazin-1-yl)methyl]-1,8-naphthyridine-3-carboxamide;piperidin-2-one has a molecular weight of 1606.51 g/mol, XLogP of 7.99, 19 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(chloromethyl)-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-(hydroxymethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-[(3-oxopiperazin-1-yl)methyl]-1,8-naphthyridine-3-carboxamide;piperidin-2-one is sourced from PubChem (CID 159876707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).