1-(2-chlorophenyl)-3-[(3R)-piperidin-3-yl]urea

C12H16ClN3O — CID 113436699

IUPAC1-(2-chlorophenyl)-3-[(3R)-piperidin-3-yl]urea
SMILESO=C(Nc1ccccc1Cl)N[C@@H]1CCCNC1
InChIInChI=1S/C12H16ClN3O/c13-10-5-1-2-6-11(10)16-12(17)15-9-4-3-7-14-8-9/h1-2,5-6,9,14H,3-4,7-8H2,(H2,15,16,17)/t9-/m1/s1
InChIKeyRWABCFWJAHRDCO-SECBINFHSA-N
MW253.73 g/mol
LogP2.21
Rot. Bonds2

About 1-(2-chlorophenyl)-3-[(3R)-piperidin-3-yl]urea

1-(2-chlorophenyl)-3-[(3R)-piperidin-3-yl]urea (PubChem CID 113436699) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[(3R)-piperidin-3-yl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[(3R)-piperidin-3-yl]urea
PubChem CID113436699
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name1-(2-chlorophenyl)-3-[(3R)-piperidin-3-yl]urea
SMILESO=C(Nc1ccccc1Cl)N[C@@H]1CCCNC1
InChIInChI=1S/C12H16ClN3O/c13-10-5-1-2-6-11(10)16-12(17)15-9-4-3-7-14-8-9/h1-2,5-6,9,14H,3-4,7-8H2,(H2,15,16,17)/t9-/m1/s1
InChIKeyRWABCFWJAHRDCO-SECBINFHSA-N
XLogP2.21
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-methylphenyl)-3-[(3S)-piperidin-3-yl]urea
CID 128753184
1-(azepan-3-yl)-3-(2-methylphenyl)urea
CID 117235751
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-piperidin-3-ylurea
CID 165430468
1-(2-chlorophenyl)-3-(2-piperidin-3-ylethyl)urea
CID 63628893
2,6-dichloro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428069
1-(3-chloro-4-methylphenyl)-3-piperidin-3-ylurea
CID 63321445
1-(2,6-difluorophenyl)-3-[(3R)-piperidin-3-yl]urea;hydrochloride
CID 165430557
2-chloro-5-phenyl-N-piperidin-3-ylbenzamide
CID 119427288
2-[(2-chlorophenyl)methoxy]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428088
N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670792
N-(2-chlorophenyl)pyrrolidin-3-amine
CID 66545622
1-(2-chlorophenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]urea
CID 7256191

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[(3R)-piperidin-3-yl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[(3R)-piperidin-3-yl]urea (CID 113436699) is 1-(2-chlorophenyl)-3-[(3R)-piperidin-3-yl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[(3R)-piperidin-3-yl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[(3R)-piperidin-3-yl]urea is O=C(Nc1ccccc1Cl)N[C@@H]1CCCNC1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[(3R)-piperidin-3-yl]urea?
The InChIKey is RWABCFWJAHRDCO-SECBINFHSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-10-5-1-2-6-11(10)16-12(17)15-9-4-3-7-14-8-9/h1-2,5-6,9,14H,3-4,7-8H2,(H2,15,16,17)/t9-/m1/s1.
What are the key properties of 1-(2-chlorophenyl)-3-[(3R)-piperidin-3-yl]urea?
1-(2-chlorophenyl)-3-[(3R)-piperidin-3-yl]urea has a molecular weight of 253.73 g/mol, XLogP of 2.21, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[(3R)-piperidin-3-yl]urea is sourced from PubChem (CID 113436699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).