N-(4-chlorobenzoyl)-3-methylpiperidine-1-carboxamide

C14H17ClN2O2 — CID 3485450

IUPACN-(4-chlorobenzoyl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NC(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H17ClN2O2/c1-10-3-2-8-17(9-10)14(19)16-13(18)11-4-6-12(15)7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H,16,18,19)
InChIKeyGZMQYDUZDKZLJL-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.92
Rot. Bonds1

About N-(4-chlorobenzoyl)-3-methylpiperidine-1-carboxamide

N-(4-chlorobenzoyl)-3-methylpiperidine-1-carboxamide (PubChem CID 3485450) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is N-(4-chlorobenzoyl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorobenzoyl)-3-methylpiperidine-1-carboxamide
PubChem CID3485450
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC NameN-(4-chlorobenzoyl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NC(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H17ClN2O2/c1-10-3-2-8-17(9-10)14(19)16-13(18)11-4-6-12(15)7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H,16,18,19)
InChIKeyGZMQYDUZDKZLJL-UHFFFAOYSA-N
XLogP2.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobenzoyl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(4-chlorobenzoyl)-3-methylpiperidine-1-carboxamide (CID 3485450) is N-(4-chlorobenzoyl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-chlorobenzoyl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-chlorobenzoyl)-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)NC(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of N-(4-chlorobenzoyl)-3-methylpiperidine-1-carboxamide?
The InChIKey is GZMQYDUZDKZLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-10-3-2-8-17(9-10)14(19)16-13(18)11-4-6-12(15)7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H,16,18,19).
What are the key properties of N-(4-chlorobenzoyl)-3-methylpiperidine-1-carboxamide?
N-(4-chlorobenzoyl)-3-methylpiperidine-1-carboxamide has a molecular weight of 280.75 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobenzoyl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 3485450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).