[1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)-3-oxopropyl]urea

C16H22ClN3O2 — CID 42994936

IUPAC[1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)-3-oxopropyl]urea
SMILESCC1CCCCN1C(=O)CC(NC(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClN3O2/c1-11-4-2-3-9-20(11)15(21)10-14(19-16(18)22)12-5-7-13(17)8-6-12/h5-8,11,14H,2-4,9-10H2,1H3,(H3,18,19,22)
InChIKeyZNELIVONOCIEFT-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.84
Rot. Bonds4

About [1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)-3-oxopropyl]urea

[1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)-3-oxopropyl]urea (PubChem CID 42994936) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)-3-oxopropyl]urea.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)-3-oxopropyl]urea
PubChem CID42994936
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name[1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)-3-oxopropyl]urea
SMILESCC1CCCCN1C(=O)CC(NC(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClN3O2/c1-11-4-2-3-9-20(11)15(21)10-14(19-16(18)22)12-5-7-13(17)8-6-12/h5-8,11,14H,2-4,9-10H2,1H3,(H3,18,19,22)
InChIKeyZNELIVONOCIEFT-UHFFFAOYSA-N
XLogP2.84
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[2-(1-aminoethyl)piperidin-1-yl]-1-(4-chlorophenyl)-3-oxopropyl]acetamide;hydrochloride
CID 119436675
[(1S)-1-(4-chlorophenyl)-3-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]urea
CID 32905990
(2S)-1-[3-acetamido-3-(4-chlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365109
N-[1-(4-chlorophenyl)-3-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide
CID 49048926
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8607880
(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid
CID 2424184
[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8727652
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8607852
N-[3-(2-benzylpyrrolidin-1-yl)-1-(4-chlorophenyl)-3-oxopropyl]acetamide
CID 51338064
N-[(1R)-1-(4-chlorophenyl)propyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 32858382
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8608232
2-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
CID 3212460

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)-3-oxopropyl]urea?
The IUPAC name of [1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)-3-oxopropyl]urea (CID 42994936) is [1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)-3-oxopropyl]urea.
What is the SMILES notation for [1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)-3-oxopropyl]urea?
The canonical SMILES for [1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)-3-oxopropyl]urea is CC1CCCCN1C(=O)CC(NC(N)=O)c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)-3-oxopropyl]urea?
The InChIKey is ZNELIVONOCIEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-11-4-2-3-9-20(11)15(21)10-14(19-16(18)22)12-5-7-13(17)8-6-12/h5-8,11,14H,2-4,9-10H2,1H3,(H3,18,19,22).
What are the key properties of [1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)-3-oxopropyl]urea?
[1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)-3-oxopropyl]urea has a molecular weight of 323.82 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)-3-oxopropyl]urea is sourced from PubChem (CID 42994936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).