3-N-butan-2-yl-1-N-[4-(4-methylpiperidin-1-yl)phenyl]benzene-1,3-dicarboxamide

C24H31N3O2 — CID 109051577

IUPAC3-N-butan-2-yl-1-N-[4-(4-methylpiperidin-1-yl)phenyl]benzene-1,3-dicarboxamide
SMILESCCC(C)NC(=O)c1cccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1
InChIInChI=1S/C24H31N3O2/c1-4-18(3)25-23(28)19-6-5-7-20(16-19)24(29)26-21-8-10-22(11-9-21)27-14-12-17(2)13-15-27/h5-11,16-18H,4,12-15H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyXCUVZHMYYUNSJH-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.70
Rot. Bonds6

About 3-N-butan-2-yl-1-N-[4-(4-methylpiperidin-1-yl)phenyl]benzene-1,3-dicarboxamide

3-N-butan-2-yl-1-N-[4-(4-methylpiperidin-1-yl)phenyl]benzene-1,3-dicarboxamide (PubChem CID 109051577) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 3-N-butan-2-yl-1-N-[4-(4-methylpiperidin-1-yl)phenyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-butan-2-yl-1-N-[4-(4-methylpiperidin-1-yl)phenyl]benzene-1,3-dicarboxamide
PubChem CID109051577
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name3-N-butan-2-yl-1-N-[4-(4-methylpiperidin-1-yl)phenyl]benzene-1,3-dicarboxamide
SMILESCCC(C)NC(=O)c1cccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1
InChIInChI=1S/C24H31N3O2/c1-4-18(3)25-23(28)19-6-5-7-20(16-19)24(29)26-21-8-10-22(11-9-21)27-14-12-17(2)13-15-27/h5-11,16-18H,4,12-15H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyXCUVZHMYYUNSJH-UHFFFAOYSA-N
XLogP4.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-N-[4-(4-methylpiperidin-1-yl)phenyl]-1-N-propylbenzene-1,3-dicarboxamide
CID 109050431
N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-methylpropoxy)benzamide
CID 21229720
N-butan-2-yl-5-[4-(4-methylpiperidin-1-yl)anilino]pyridine-3-carboxamide
CID 109225266
3-(4-methylpiperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 109052385
3-N-butan-2-yl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide
CID 109051525
2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078164
N-butan-2-yl-3-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109051475
4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-3-nitrobenzamide
CID 21229734
1-N-(3-methylbutyl)-3-N-(4-pyrrolidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109056231
N-[4-(4-methylpiperidin-1-yl)phenyl]-1,3-benzoxazole-6-carboxamide
CID 110862309
N-[4-(4-methylpiperidin-1-yl)phenyl]thiophene-3-carboxamide
CID 9303445
3-N-butan-2-yl-1-N-cyclopentylbenzene-1,3-dicarboxamide
CID 109051430

Frequently Asked Questions

What is the IUPAC name of 3-N-butan-2-yl-1-N-[4-(4-methylpiperidin-1-yl)phenyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-butan-2-yl-1-N-[4-(4-methylpiperidin-1-yl)phenyl]benzene-1,3-dicarboxamide (CID 109051577) is 3-N-butan-2-yl-1-N-[4-(4-methylpiperidin-1-yl)phenyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-butan-2-yl-1-N-[4-(4-methylpiperidin-1-yl)phenyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-butan-2-yl-1-N-[4-(4-methylpiperidin-1-yl)phenyl]benzene-1,3-dicarboxamide is CCC(C)NC(=O)c1cccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1.
What is the InChIKey of 3-N-butan-2-yl-1-N-[4-(4-methylpiperidin-1-yl)phenyl]benzene-1,3-dicarboxamide?
The InChIKey is XCUVZHMYYUNSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-4-18(3)25-23(28)19-6-5-7-20(16-19)24(29)26-21-8-10-22(11-9-21)27-14-12-17(2)13-15-27/h5-11,16-18H,4,12-15H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 3-N-butan-2-yl-1-N-[4-(4-methylpiperidin-1-yl)phenyl]benzene-1,3-dicarboxamide?
3-N-butan-2-yl-1-N-[4-(4-methylpiperidin-1-yl)phenyl]benzene-1,3-dicarboxamide has a molecular weight of 393.53 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butan-2-yl-1-N-[4-(4-methylpiperidin-1-yl)phenyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109051577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).