1-[(4-chlorophenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one

C19H25ClN2O2 — CID 24817781

IUPAC1-[(4-chlorophenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one
SMILESCC1CCN(C(=O)C2CCC(=O)N(Cc3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C19H25ClN2O2/c1-14-8-10-21(11-9-14)19(24)16-4-7-18(23)22(13-16)12-15-2-5-17(20)6-3-15/h2-3,5-6,14,16H,4,7-13H2,1H3
InChIKeyHLTWDJDPZFYFPT-UHFFFAOYSA-N
MW348.87 g/mol
LogP3.34
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one

1-[(4-chlorophenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one (PubChem CID 24817781) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one
PubChem CID24817781
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name1-[(4-chlorophenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one
SMILESCC1CCN(C(=O)C2CCC(=O)N(Cc3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C19H25ClN2O2/c1-14-8-10-21(11-9-14)19(24)16-4-7-18(23)22(13-16)12-15-2-5-17(20)6-3-15/h2-3,5-6,14,16H,4,7-13H2,1H3
InChIKeyHLTWDJDPZFYFPT-UHFFFAOYSA-N
XLogP3.34
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one (CID 24817781) is 1-[(4-chlorophenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one is CC1CCN(C(=O)C2CCC(=O)N(Cc3ccc(Cl)cc3)C2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one?
The InChIKey is HLTWDJDPZFYFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c1-14-8-10-21(11-9-14)19(24)16-4-7-18(23)22(13-16)12-15-2-5-17(20)6-3-15/h2-3,5-6,14,16H,4,7-13H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one?
1-[(4-chlorophenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one has a molecular weight of 348.87 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 24817781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).