1-(3-chlorophenyl)-3-(6-oxopiperidin-3-yl)urea

C12H14ClN3O2 — CID 62491459

IUPAC1-(3-chlorophenyl)-3-(6-oxopiperidin-3-yl)urea
SMILESO=C1CCC(NC(=O)Nc2cccc(Cl)c2)CN1
InChIInChI=1S/C12H14ClN3O2/c13-8-2-1-3-9(6-8)15-12(18)16-10-4-5-11(17)14-7-10/h1-3,6,10H,4-5,7H2,(H,14,17)(H2,15,16,18)
InChIKeyGOKRTNIKCGFOGS-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.74
Rot. Bonds2

About 1-(3-chlorophenyl)-3-(6-oxopiperidin-3-yl)urea

1-(3-chlorophenyl)-3-(6-oxopiperidin-3-yl)urea (PubChem CID 62491459) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(6-oxopiperidin-3-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(6-oxopiperidin-3-yl)urea
PubChem CID62491459
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name1-(3-chlorophenyl)-3-(6-oxopiperidin-3-yl)urea
SMILESO=C1CCC(NC(=O)Nc2cccc(Cl)c2)CN1
InChIInChI=1S/C12H14ClN3O2/c13-8-2-1-3-9(6-8)15-12(18)16-10-4-5-11(17)14-7-10/h1-3,6,10H,4-5,7H2,(H,14,17)(H2,15,16,18)
InChIKeyGOKRTNIKCGFOGS-UHFFFAOYSA-N
XLogP1.74
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-[4-(methylamino)cyclohexyl]urea
CID 79110382
2-(2,4-dichlorophenyl)-N-(6-oxopiperidin-3-yl)acetamide
CID 62490404
2,6-dichloro-N-(6-oxopiperidin-3-yl)benzamide
CID 55246624
1-(5-azaspiro[3.5]nonan-8-yl)-3-(3-chlorophenyl)urea
CID 43596745
2-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid
CID 63661272
2-hydroxy-3-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid
CID 104833710
1-(3-chlorophenyl)-3-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]urea
CID 96579890
2-chloro-5-[(5-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 106191652
2-fluoro-6-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid
CID 63663402
1-(2-chloro-4-nitrophenyl)-3-[(3R)-6-oxopiperidin-3-yl]urea
CID 95733889
1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 3449806
1-(3-chlorophenyl)-3-[(1R,5S)-8-cyclopentyl-8-azoniabicyclo[3.2.1]octan-3-yl]urea
CID 7399714

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(6-oxopiperidin-3-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(6-oxopiperidin-3-yl)urea (CID 62491459) is 1-(3-chlorophenyl)-3-(6-oxopiperidin-3-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(6-oxopiperidin-3-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(6-oxopiperidin-3-yl)urea is O=C1CCC(NC(=O)Nc2cccc(Cl)c2)CN1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(6-oxopiperidin-3-yl)urea?
The InChIKey is GOKRTNIKCGFOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c13-8-2-1-3-9(6-8)15-12(18)16-10-4-5-11(17)14-7-10/h1-3,6,10H,4-5,7H2,(H,14,17)(H2,15,16,18).
What are the key properties of 1-(3-chlorophenyl)-3-(6-oxopiperidin-3-yl)urea?
1-(3-chlorophenyl)-3-(6-oxopiperidin-3-yl)urea has a molecular weight of 267.72 g/mol, XLogP of 1.74, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(6-oxopiperidin-3-yl)urea is sourced from PubChem (CID 62491459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).