1-[[(1-acetylpiperidin-4-yl)carbamoylamino]-(3-chlorophenyl)methyl]cyclopentane-1-carboxamide

C21H29ClN4O3 — CID 170579921

IUPAC1-[[(1-acetylpiperidin-4-yl)carbamoylamino]-(3-chlorophenyl)methyl]cyclopentane-1-carboxamide
SMILESCC(=O)N1CCC(NC(=O)NC(c2cccc(Cl)c2)C2(C(N)=O)CCCC2)CC1
InChIInChI=1S/C21H29ClN4O3/c1-14(27)26-11-7-17(8-12-26)24-20(29)25-18(15-5-4-6-16(22)13-15)21(19(23)28)9-2-3-10-21/h4-6,13,17-18H,2-3,7-12H2,1H3,(H2,23,28)(H2,24,25,29)
InChIKeyJGGPUPLHINFJHA-UHFFFAOYSA-N
MW420.94 g/mol
LogP2.74
Rot. Bonds5

About 1-[[(1-acetylpiperidin-4-yl)carbamoylamino]-(3-chlorophenyl)methyl]cyclopentane-1-carboxamide

1-[[(1-acetylpiperidin-4-yl)carbamoylamino]-(3-chlorophenyl)methyl]cyclopentane-1-carboxamide (PubChem CID 170579921) has the molecular formula C21H29ClN4O3 and a molecular weight of 420.94 g/mol. Its IUPAC name is 1-[[(1-acetylpiperidin-4-yl)carbamoylamino]-(3-chlorophenyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[[(1-acetylpiperidin-4-yl)carbamoylamino]-(3-chlorophenyl)methyl]cyclopentane-1-carboxamide
PubChem CID170579921
Molecular FormulaC21H29ClN4O3
Molecular Weight420.94 g/mol
Exact Mass420.19
IUPAC Name1-[[(1-acetylpiperidin-4-yl)carbamoylamino]-(3-chlorophenyl)methyl]cyclopentane-1-carboxamide
SMILESCC(=O)N1CCC(NC(=O)NC(c2cccc(Cl)c2)C2(C(N)=O)CCCC2)CC1
InChIInChI=1S/C21H29ClN4O3/c1-14(27)26-11-7-17(8-12-26)24-20(29)25-18(15-5-4-6-16(22)13-15)21(19(23)28)9-2-3-10-21/h4-6,13,17-18H,2-3,7-12H2,1H3,(H2,23,28)(H2,24,25,29)
InChIKeyJGGPUPLHINFJHA-UHFFFAOYSA-N
XLogP2.74
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.94
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[(1-acetylpiperidin-4-yl)carbamoylamino]-(3-chlorophenyl)methyl]cyclopentane-1-carboxamide with MolForge

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Related Compounds

1-(1-acetylpiperidin-4-yl)-3-[(S)-(3-chlorophenyl)-[(3S)-oxolan-3-yl]methyl]urea
CID 170578486
ethyl 4-[1-(3-chlorophenyl)ethylcarbamoylamino]piperidine-1-carboxylate
CID 55457285
2-(1-acetylpiperidin-4-yl)-N-[(S)-(3-chlorophenyl)-pyrrolidin-2-ylmethyl]acetamide
CID 170580165
4-[[2-(3-chlorophenyl)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822388
tert-butyl N-[(3S)-1-[(2S)-2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)acetyl]pyrrolidin-3-yl]carbamate
CID 86599053
1-[4-[1-(3-chlorophenyl)ethylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43747786
N-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide
CID 99823532
butyl N-[(3R)-1-[2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)acetyl]pyrrolidin-3-yl]carbamate
CID 154120762
N-[(1R)-1-(3-chlorophenyl)ethyl]-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 119049218
(3S)-3-[[(2R)-3-(3-chlorophenyl)-2-methylpropanoyl]amino]pyrrolidine-1-carboxamide
CID 97243727
1-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propan-2-ylurea
CID 110821055
N-(4-aminocyclohexyl)-2-(3-chlorophenyl)-3-methylbutanamide
CID 119476760

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-acetylpiperidin-4-yl)carbamoylamino]-(3-chlorophenyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-[[(1-acetylpiperidin-4-yl)carbamoylamino]-(3-chlorophenyl)methyl]cyclopentane-1-carboxamide (CID 170579921) is 1-[[(1-acetylpiperidin-4-yl)carbamoylamino]-(3-chlorophenyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[[(1-acetylpiperidin-4-yl)carbamoylamino]-(3-chlorophenyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-[[(1-acetylpiperidin-4-yl)carbamoylamino]-(3-chlorophenyl)methyl]cyclopentane-1-carboxamide is CC(=O)N1CCC(NC(=O)NC(c2cccc(Cl)c2)C2(C(N)=O)CCCC2)CC1.
What is the InChIKey of 1-[[(1-acetylpiperidin-4-yl)carbamoylamino]-(3-chlorophenyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is JGGPUPLHINFJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN4O3/c1-14(27)26-11-7-17(8-12-26)24-20(29)25-18(15-5-4-6-16(22)13-15)21(19(23)28)9-2-3-10-21/h4-6,13,17-18H,2-3,7-12H2,1H3,(H2,23,28)(H2,24,25,29).
What are the key properties of 1-[[(1-acetylpiperidin-4-yl)carbamoylamino]-(3-chlorophenyl)methyl]cyclopentane-1-carboxamide?
1-[[(1-acetylpiperidin-4-yl)carbamoylamino]-(3-chlorophenyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 420.94 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-acetylpiperidin-4-yl)carbamoylamino]-(3-chlorophenyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 170579921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).