1-(4-chlorobenzoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide

C22H28ClN3O3 — CID 42943350

IUPAC1-(4-chlorobenzoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CC2)CC1)C1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C22H28ClN3O3/c23-18-7-5-16(6-8-18)22(29)26-11-1-2-17(14-26)20(27)24-19-9-12-25(13-10-19)21(28)15-3-4-15/h5-8,15,17,19H,1-4,9-14H2,(H,24,27)
InChIKeyQSLZRJWFMVZMEA-UHFFFAOYSA-N
MW417.94 g/mol
LogP2.71
Rot. Bonds4

About 1-(4-chlorobenzoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide

1-(4-chlorobenzoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 42943350) has the molecular formula C22H28ClN3O3 and a molecular weight of 417.94 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID42943350
Molecular FormulaC22H28ClN3O3
Molecular Weight417.94 g/mol
Exact Mass417.18
IUPAC Name1-(4-chlorobenzoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CC2)CC1)C1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C22H28ClN3O3/c23-18-7-5-16(6-8-18)22(29)26-11-1-2-17(14-26)20(27)24-19-9-12-25(13-10-19)21(28)15-3-4-15/h5-8,15,17,19H,1-4,9-14H2,(H,24,27)
InChIKeyQSLZRJWFMVZMEA-UHFFFAOYSA-N
XLogP2.71
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorobenzoyl)-N-(3-hydroxycyclobutyl)piperidine-3-carboxamide
CID 154802579
1-(4-chlorobenzoyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119450711
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 16613398
1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
CID 1072789
[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797025
(3R)-N-cyclopentyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 25392682
N-[(2R)-2-acetamidocyclohexyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 46170994
1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide
CID 47100006
4-[(1-benzoylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229696
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorobenzoyl)piperidin-3-yl]methanone
CID 119410324
1-(4-chlorobenzoyl)-N-[(1R,2R)-2-ethylcyclopropyl]piperidine-3-carboxamide
CID 136581604
[1-(4-chlorobenzoyl)piperidin-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78769153

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide (CID 42943350) is 1-(4-chlorobenzoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide is O=C(NC1CCN(C(=O)C2CC2)CC1)C1CCCN(C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is QSLZRJWFMVZMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O3/c23-18-7-5-16(6-8-18)22(29)26-11-1-2-17(14-26)20(27)24-19-9-12-25(13-10-19)21(28)15-3-4-15/h5-8,15,17,19H,1-4,9-14H2,(H,24,27).
What are the key properties of 1-(4-chlorobenzoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide?
1-(4-chlorobenzoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 417.94 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 42943350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).