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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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).