1-[(4-chlorophenyl)methyl]-3-piperidin-3-ylurea

C13H18ClN3O — CID 117235602

IUPAC1-[(4-chlorophenyl)methyl]-3-piperidin-3-ylurea
SMILESO=C(NCc1ccc(Cl)cc1)NC1CCCNC1
InChIInChI=1S/C13H18ClN3O/c14-11-5-3-10(4-6-11)8-16-13(18)17-12-2-1-7-15-9-12/h3-6,12,15H,1-2,7-9H2,(H2,16,17,18)
InChIKeyHQINMHBRUOVPOA-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.89
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-3-piperidin-3-ylurea

1-[(4-chlorophenyl)methyl]-3-piperidin-3-ylurea (PubChem CID 117235602) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-piperidin-3-ylurea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-piperidin-3-ylurea
PubChem CID117235602
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name1-[(4-chlorophenyl)methyl]-3-piperidin-3-ylurea
SMILESO=C(NCc1ccc(Cl)cc1)NC1CCCNC1
InChIInChI=1S/C13H18ClN3O/c14-11-5-3-10(4-6-11)8-16-13(18)17-12-2-1-7-15-9-12/h3-6,12,15H,1-2,7-9H2,(H2,16,17,18)
InChIKeyHQINMHBRUOVPOA-UHFFFAOYSA-N
XLogP1.89
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylacetamide
CID 119451180
1-[(4-chlorophenyl)methyl]-3-[(1S,3R)-3-hydroxycyclohexyl]urea
CID 95983968
1-(pyridin-4-ylmethyl)-3-[(3R)-pyrrolidin-3-yl]urea
CID 86276993
2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide
CID 62379159
1-(furan-2-ylmethyl)-3-piperidin-3-ylurea
CID 117235907
4-(acetamidomethyl)-N-piperidin-3-ylbenzamide
CID 119425557
2-(4-chlorophenyl)sulfanyl-N-piperidin-3-ylacetamide
CID 119427074
1-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-3-[(3R)-pyrrolidin-3-yl]urea
CID 131940761
3-[(4-chlorophenyl)methoxy]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427852
[6-[(4-chlorophenyl)methylcarbamoylamino]spiro[3.3]heptan-2-yl]carbamic acid
CID 170319732
1-(azepan-3-yl)-3-(thiophen-2-ylmethyl)urea
CID 117235910
N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 74889868

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-piperidin-3-ylurea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-piperidin-3-ylurea (CID 117235602) is 1-[(4-chlorophenyl)methyl]-3-piperidin-3-ylurea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-piperidin-3-ylurea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-piperidin-3-ylurea is O=C(NCc1ccc(Cl)cc1)NC1CCCNC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-piperidin-3-ylurea?
The InChIKey is HQINMHBRUOVPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c14-11-5-3-10(4-6-11)8-16-13(18)17-12-2-1-7-15-9-12/h3-6,12,15H,1-2,7-9H2,(H2,16,17,18).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-piperidin-3-ylurea?
1-[(4-chlorophenyl)methyl]-3-piperidin-3-ylurea has a molecular weight of 267.76 g/mol, XLogP of 1.89, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-piperidin-3-ylurea is sourced from PubChem (CID 117235602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).