1-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-propylurea

C17H24ClN3O2 — CID 110820802

IUPAC1-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-propylurea
SMILESCCCNC(=O)NC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H24ClN3O2/c1-2-9-19-17(23)20-15-7-10-21(11-8-15)16(22)12-13-3-5-14(18)6-4-13/h3-6,15H,2,7-12H2,1H3,(H2,19,20,23)
InChIKeyNFKVCGBUTPTIOK-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.58
Rot. Bonds5

About 1-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-propylurea

1-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-propylurea (PubChem CID 110820802) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 1-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-propylurea.

Molecular Properties

Compound Name1-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-propylurea
PubChem CID110820802
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name1-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-propylurea
SMILESCCCNC(=O)NC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H24ClN3O2/c1-2-9-19-17(23)20-15-7-10-21(11-8-15)16(22)12-13-3-5-14(18)6-4-13/h3-6,15H,2,7-12H2,1H3,(H2,19,20,23)
InChIKeyNFKVCGBUTPTIOK-UHFFFAOYSA-N
XLogP2.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-propylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-3-propylurea
CID 110822794
2-(4-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119563636
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108559477
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide
CID 108559585
1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-3-propylurea
CID 110822705
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108561610
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxybenzamide
CID 108559283
2-(4-chlorophenoxy)-N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108561465
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108561362
1-(4-acetylpiperidin-1-yl)-2-(4-chlorophenyl)ethanone
CID 110477076
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]oxolane-2-carboxamide
CID 108561805
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone
CID 63596377

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-propylurea?
The IUPAC name of 1-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-propylurea (CID 110820802) is 1-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-propylurea.
What is the SMILES notation for 1-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-propylurea?
The canonical SMILES for 1-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-propylurea is CCCNC(=O)NC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-propylurea?
The InChIKey is NFKVCGBUTPTIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-2-9-19-17(23)20-15-7-10-21(11-8-15)16(22)12-13-3-5-14(18)6-4-13/h3-6,15H,2,7-12H2,1H3,(H2,19,20,23).
What are the key properties of 1-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-propylurea?
1-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-propylurea has a molecular weight of 337.85 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-propylurea is sourced from PubChem (CID 110820802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).