1-(1-acetylpiperidin-4-yl)-3-(2-chlorophenyl)-1-propan-2-ylurea

C17H24ClN3O2 — CID 22510576

IUPAC1-(1-acetylpiperidin-4-yl)-3-(2-chlorophenyl)-1-propan-2-ylurea
SMILESCC(=O)N1CCC(N(C(=O)Nc2ccccc2Cl)C(C)C)CC1
InChIInChI=1S/C17H24ClN3O2/c1-12(2)21(14-8-10-20(11-9-14)13(3)22)17(23)19-16-7-5-4-6-15(16)18/h4-7,12,14H,8-11H2,1-3H3,(H,19,23)
InChIKeyKZXLFRBDXZSCMB-UHFFFAOYSA-N
MW337.85 g/mol
LogP3.59
Rot. Bonds3

About 1-(1-acetylpiperidin-4-yl)-3-(2-chlorophenyl)-1-propan-2-ylurea

1-(1-acetylpiperidin-4-yl)-3-(2-chlorophenyl)-1-propan-2-ylurea (PubChem CID 22510576) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-(2-chlorophenyl)-1-propan-2-ylurea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-(2-chlorophenyl)-1-propan-2-ylurea
PubChem CID22510576
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-(2-chlorophenyl)-1-propan-2-ylurea
SMILESCC(=O)N1CCC(N(C(=O)Nc2ccccc2Cl)C(C)C)CC1
InChIInChI=1S/C17H24ClN3O2/c1-12(2)21(14-8-10-20(11-9-14)13(3)22)17(23)19-16-7-5-4-6-15(16)18/h4-7,12,14H,8-11H2,1-3H3,(H,19,23)
InChIKeyKZXLFRBDXZSCMB-UHFFFAOYSA-N
XLogP3.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-propan-2-ylurea
CID 22510706
methyl 2-[[(1-acetylpiperidin-4-yl)-propan-2-ylcarbamoyl]amino]-4-chlorobenzoate
CID 22510688
1-(1-acetylpiperidin-4-yl)-3-(4-methylphenyl)-1-propan-2-ylthiourea
CID 3477975
1-[4-(2,3-dichloroanilino)piperidin-1-yl]ethanone
CID 43772128
N-(2-chlorophenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113007102
N-(2-chlorophenyl)-4-[methyl(3-methylbutyl)amino]piperidine-1-carbothioamide
CID 3700546
4-[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
CID 95065297
(3S)-N-(2-chlorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646373
1-[4-[1-(2-chlorophenyl)ethylamino]piperidin-1-yl]ethanone
CID 43223681
N-(2-chlorophenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108959205
(3R)-N-(2-chlorophenyl)-3-methylsulfonylpyrrolidine-1-carboxamide
CID 97414951
4-(4-acetylpiperazin-1-yl)-N-(2-chlorophenyl)-4-oxobutanamide
CID 9032040

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(2-chlorophenyl)-1-propan-2-ylurea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(2-chlorophenyl)-1-propan-2-ylurea (CID 22510576) is 1-(1-acetylpiperidin-4-yl)-3-(2-chlorophenyl)-1-propan-2-ylurea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-(2-chlorophenyl)-1-propan-2-ylurea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-(2-chlorophenyl)-1-propan-2-ylurea is CC(=O)N1CCC(N(C(=O)Nc2ccccc2Cl)C(C)C)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-(2-chlorophenyl)-1-propan-2-ylurea?
The InChIKey is KZXLFRBDXZSCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-12(2)21(14-8-10-20(11-9-14)13(3)22)17(23)19-16-7-5-4-6-15(16)18/h4-7,12,14H,8-11H2,1-3H3,(H,19,23).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-(2-chlorophenyl)-1-propan-2-ylurea?
1-(1-acetylpiperidin-4-yl)-3-(2-chlorophenyl)-1-propan-2-ylurea has a molecular weight of 337.85 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-(2-chlorophenyl)-1-propan-2-ylurea is sourced from PubChem (CID 22510576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).