1-(4-chlorobenzoyl)-N,N-diethylpiperidine-4-carboxamide

C17H23ClN2O2 — CID 17119192

IUPAC1-(4-chlorobenzoyl)-N,N-diethylpiperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H23ClN2O2/c1-3-19(4-2)16(21)14-9-11-20(12-10-14)17(22)13-5-7-15(18)8-6-13/h5-8,14H,3-4,9-12H2,1-2H3
InChIKeyHWXPVOUVFFBKSH-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.06
Rot. Bonds4

About 1-(4-chlorobenzoyl)-N,N-diethylpiperidine-4-carboxamide

1-(4-chlorobenzoyl)-N,N-diethylpiperidine-4-carboxamide (PubChem CID 17119192) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N,N-diethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N,N-diethylpiperidine-4-carboxamide
PubChem CID17119192
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name1-(4-chlorobenzoyl)-N,N-diethylpiperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H23ClN2O2/c1-3-19(4-2)16(21)14-9-11-20(12-10-14)17(22)13-5-7-15(18)8-6-13/h5-8,14H,3-4,9-12H2,1-2H3
InChIKeyHWXPVOUVFFBKSH-UHFFFAOYSA-N
XLogP3.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dibutyl-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 17119241
1-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)piperidine-4-carboxamide
CID 17119178
N-benzyl-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 17119215
1-(9,10-dioxoanthracene-2-carbonyl)-N,N-diethylpiperidine-4-carboxamide
CID 16764901
1-(4-fluorobenzoyl)-N,N-dipropylpiperidine-4-carboxamide
CID 17223883
1-(4-methoxybenzoyl)-N,N-dipropylpiperidine-4-carboxamide
CID 113005887
(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
N-(2-anilino-2-oxoethyl)-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 46822995
[1-(4-chlorobenzoyl)piperidin-4-yl]azanium
CID 7183143
N,N-diethyl-4-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 55683412
1-(4-chlorobenzoyl)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 46823952
1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
CID 1072789

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N,N-diethylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N,N-diethylpiperidine-4-carboxamide (CID 17119192) is 1-(4-chlorobenzoyl)-N,N-diethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N,N-diethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N,N-diethylpiperidine-4-carboxamide is CCN(CC)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N,N-diethylpiperidine-4-carboxamide?
The InChIKey is HWXPVOUVFFBKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-3-19(4-2)16(21)14-9-11-20(12-10-14)17(22)13-5-7-15(18)8-6-13/h5-8,14H,3-4,9-12H2,1-2H3.
What are the key properties of 1-(4-chlorobenzoyl)-N,N-diethylpiperidine-4-carboxamide?
1-(4-chlorobenzoyl)-N,N-diethylpiperidine-4-carboxamide has a molecular weight of 322.84 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N,N-diethylpiperidine-4-carboxamide is sourced from PubChem (CID 17119192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).