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

C16H24ClN3O — CID 129368276

IUPAC1-(2-chlorophenyl)-3-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]urea
SMILESC[C@@H]1CCCCN1[C@H](C)CNC(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H24ClN3O/c1-12-7-5-6-10-20(12)13(2)11-18-16(21)19-15-9-4-3-8-14(15)17/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3,(H2,18,19,21)/t12-,13-/m1/s1
InChIKeyABHNPODXJCZBLA-CHWSQXEVSA-N
MW309.84 g/mol
LogP3.72
Rot. Bonds4

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

1-(2-chlorophenyl)-3-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]urea (PubChem CID 129368276) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]urea
PubChem CID129368276
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name1-(2-chlorophenyl)-3-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]urea
SMILESC[C@@H]1CCCCN1[C@H](C)CNC(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H24ClN3O/c1-12-7-5-6-10-20(12)13(2)11-18-16(21)19-15-9-4-3-8-14(15)17/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3,(H2,18,19,21)/t12-,13-/m1/s1
InChIKeyABHNPODXJCZBLA-CHWSQXEVSA-N
XLogP3.72
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(2,4,6-trimethylphenyl)urea
CID 129418976
1-(3,4-dichlorophenyl)-3-[2-(2-methylpiperidin-1-yl)propyl]thiourea
CID 43076905
3-[(2-chlorophenyl)carbamoylamino]-2-methylpropanoic acid
CID 62674288
1-(2-chlorophenyl)-3-(3-hydroxy-2-methylpropyl)urea
CID 61354888
1-(2,6-dimethylphenyl)-3-[2-(2-methylpiperidin-1-yl)propyl]thiourea
CID 43076889
(2S,6S)-N-(2-chlorophenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 41097747
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
CID 92863110
1-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 94047885
1-(4-fluorophenyl)-3-[2-(2-methylpiperidin-1-yl)propyl]thiourea
CID 43076912
1-(2-methoxyphenyl)-3-[(2R)-2-piperidin-1-ylpropyl]urea
CID 42473211
[2-(2-chloroanilino)-2-oxoethyl]-[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylazanium
CID 9036594
1-(2,5-dimethylphenyl)-3-[2-(2-methylpiperidin-1-yl)propyl]thiourea
CID 43076890

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]urea (CID 129368276) is 1-(2-chlorophenyl)-3-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]urea is C[C@@H]1CCCCN1[C@H](C)CNC(=O)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]urea?
The InChIKey is ABHNPODXJCZBLA-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-12-7-5-6-10-20(12)13(2)11-18-16(21)19-15-9-4-3-8-14(15)17/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3,(H2,18,19,21)/t12-,13-/m1/s1.
What are the key properties of 1-(2-chlorophenyl)-3-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]urea?
1-(2-chlorophenyl)-3-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]urea has a molecular weight of 309.84 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]urea is sourced from PubChem (CID 129368276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).