1-(4-chlorobenzoyl)-N-[(1R,2R)-2-ethylcyclopropyl]piperidine-3-carboxamide

C18H23ClN2O2 — CID 136581604

IUPAC1-(4-chlorobenzoyl)-N-[(1R,2R)-2-ethylcyclopropyl]piperidine-3-carboxamide
SMILESCC[C@@H]1C[C@H]1NC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H23ClN2O2/c1-2-12-10-16(12)20-17(22)14-4-3-9-21(11-14)18(23)13-5-7-15(19)8-6-13/h5-8,12,14,16H,2-4,9-11H2,1H3,(H,20,22)/t12-,14?,16-/m1/s1
InChIKeyNLJQQUOXFQNHRY-QXDOLYAVSA-N
MW334.85 g/mol
LogP3.11
Rot. Bonds4

About 1-(4-chlorobenzoyl)-N-[(1R,2R)-2-ethylcyclopropyl]piperidine-3-carboxamide

1-(4-chlorobenzoyl)-N-[(1R,2R)-2-ethylcyclopropyl]piperidine-3-carboxamide (PubChem CID 136581604) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-[(1R,2R)-2-ethylcyclopropyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-[(1R,2R)-2-ethylcyclopropyl]piperidine-3-carboxamide
PubChem CID136581604
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name1-(4-chlorobenzoyl)-N-[(1R,2R)-2-ethylcyclopropyl]piperidine-3-carboxamide
SMILESCC[C@@H]1C[C@H]1NC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H23ClN2O2/c1-2-12-10-16(12)20-17(22)14-4-3-9-21(11-14)18(23)13-5-7-15(19)8-6-13/h5-8,12,14,16H,2-4,9-11H2,1H3,(H,20,22)/t12-,14?,16-/m1/s1
InChIKeyNLJQQUOXFQNHRY-QXDOLYAVSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-acetamidocyclohexyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 46170994
1-(4-chlorobenzoyl)-N-(3-hydroxycyclobutyl)piperidine-3-carboxamide
CID 154802579
1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide
CID 47100006
(3S)-1-(4-chlorobenzoyl)-N-ethoxypiperidine-3-carboxamide
CID 94171693
(3R)-1-(4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 8713114
1-(4-chlorobenzoyl)-N-(1-hydroxypropan-2-yl)piperidine-3-carboxamide
CID 78856900
N-(2-amino-2-methylpropyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 119627004
1-(4-chlorobenzoyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119450711
(3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 26253365
1-(4-chlorobenzoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 42943350
1-(4-chlorobenzoyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 24683038
[1-(4-chlorobenzoyl)piperidin-3-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 42908642

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-[(1R,2R)-2-ethylcyclopropyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-[(1R,2R)-2-ethylcyclopropyl]piperidine-3-carboxamide (CID 136581604) is 1-(4-chlorobenzoyl)-N-[(1R,2R)-2-ethylcyclopropyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-[(1R,2R)-2-ethylcyclopropyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-[(1R,2R)-2-ethylcyclopropyl]piperidine-3-carboxamide is CC[C@@H]1C[C@H]1NC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-[(1R,2R)-2-ethylcyclopropyl]piperidine-3-carboxamide?
The InChIKey is NLJQQUOXFQNHRY-QXDOLYAVSA-N. The full InChI is InChI=1S/C18H23ClN2O2/c1-2-12-10-16(12)20-17(22)14-4-3-9-21(11-14)18(23)13-5-7-15(19)8-6-13/h5-8,12,14,16H,2-4,9-11H2,1H3,(H,20,22)/t12-,14?,16-/m1/s1.
What are the key properties of 1-(4-chlorobenzoyl)-N-[(1R,2R)-2-ethylcyclopropyl]piperidine-3-carboxamide?
1-(4-chlorobenzoyl)-N-[(1R,2R)-2-ethylcyclopropyl]piperidine-3-carboxamide has a molecular weight of 334.85 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-[(1R,2R)-2-ethylcyclopropyl]piperidine-3-carboxamide is sourced from PubChem (CID 136581604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).