1-(3-chloro-4-methylphenyl)-3-piperidin-3-ylurea

C13H18ClN3O — CID 63321445

IUPAC1-(3-chloro-4-methylphenyl)-3-piperidin-3-ylurea
SMILESCc1ccc(NC(=O)NC2CCCNC2)cc1Cl
InChIInChI=1S/C13H18ClN3O/c1-9-4-5-10(7-12(9)14)16-13(18)17-11-3-2-6-15-8-11/h4-5,7,11,15H,2-3,6,8H2,1H3,(H2,16,17,18)
InChIKeyLLXFBDKRMZJFEK-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.52
Rot. Bonds2

About 1-(3-chloro-4-methylphenyl)-3-piperidin-3-ylurea

1-(3-chloro-4-methylphenyl)-3-piperidin-3-ylurea (PubChem CID 63321445) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-piperidin-3-ylurea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-piperidin-3-ylurea
PubChem CID63321445
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name1-(3-chloro-4-methylphenyl)-3-piperidin-3-ylurea
SMILESCc1ccc(NC(=O)NC2CCCNC2)cc1Cl
InChIInChI=1S/C13H18ClN3O/c1-9-4-5-10(7-12(9)14)16-13(18)17-11-3-2-6-15-8-11/h4-5,7,11,15H,2-3,6,8H2,1H3,(H2,16,17,18)
InChIKeyLLXFBDKRMZJFEK-UHFFFAOYSA-N
XLogP2.52
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 73352041
1-(3-chloro-4-methylphenyl)-3-cyclopropylurea
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1-(azepan-4-yl)-3-(3,4-dichlorophenyl)urea
CID 107172624
3-chloro-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
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1-(2-chloro-5-methylphenyl)-3-[(3S)-piperidin-3-yl]urea
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1-(3-chloro-4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea
CID 114695150
1-(3-chloro-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 24528836
1-(4-cyanophenyl)-3-[(3R)-piperidin-3-yl]urea
CID 113436695
1-(2-chlorophenyl)-3-[(3R)-piperidin-3-yl]urea
CID 113436699
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-piperidin-3-ylurea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-piperidin-3-ylurea (CID 63321445) is 1-(3-chloro-4-methylphenyl)-3-piperidin-3-ylurea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-piperidin-3-ylurea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-piperidin-3-ylurea is Cc1ccc(NC(=O)NC2CCCNC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-piperidin-3-ylurea?
The InChIKey is LLXFBDKRMZJFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-9-4-5-10(7-12(9)14)16-13(18)17-11-3-2-6-15-8-11/h4-5,7,11,15H,2-3,6,8H2,1H3,(H2,16,17,18).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-piperidin-3-ylurea?
1-(3-chloro-4-methylphenyl)-3-piperidin-3-ylurea has a molecular weight of 267.76 g/mol, XLogP of 2.52, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-piperidin-3-ylurea is sourced from PubChem (CID 63321445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).