1-[(1R,3S)-3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-(3,5-difluorophenyl)urea

C24H28ClF2N3O — CID 25009535

IUPAC1-[(1R,3S)-3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-(3,5-difluorophenyl)urea
SMILESO=C(Nc1cc(F)cc(F)c1)N[C@@H]1CC[C@H](CN2CCC(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C24H28ClF2N3O/c25-19-4-2-17(3-5-19)18-7-9-30(10-8-18)15-16-1-6-22(11-16)28-24(31)29-23-13-20(26)12-21(27)14-23/h2-5,12-14,16,18,22H,1,6-11,15H2,(H2,28,29,31)/t16-,22+/m0/s1
InChIKeyOBJKZIJRLUUVIJ-KSFYIVLOSA-N
MW447.96 g/mol
LogP5.79
Rot. Bonds5

About 1-[(1R,3S)-3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-(3,5-difluorophenyl)urea

1-[(1R,3S)-3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-(3,5-difluorophenyl)urea (PubChem CID 25009535) has the molecular formula C24H28ClF2N3O and a molecular weight of 447.96 g/mol. Its IUPAC name is 1-[(1R,3S)-3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-(3,5-difluorophenyl)urea.

Molecular Properties

Compound Name1-[(1R,3S)-3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-(3,5-difluorophenyl)urea
PubChem CID25009535
Molecular FormulaC24H28ClF2N3O
Molecular Weight447.96 g/mol
Exact Mass447.19
IUPAC Name1-[(1R,3S)-3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-(3,5-difluorophenyl)urea
SMILESO=C(Nc1cc(F)cc(F)c1)N[C@@H]1CC[C@H](CN2CCC(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C24H28ClF2N3O/c25-19-4-2-17(3-5-19)18-7-9-30(10-8-18)15-16-1-6-22(11-16)28-24(31)29-23-13-20(26)12-21(27)14-23/h2-5,12-14,16,18,22H,1,6-11,15H2,(H2,28,29,31)/t16-,22+/m0/s1
InChIKeyOBJKZIJRLUUVIJ-KSFYIVLOSA-N
XLogP5.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.96
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(1R,3S)-3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-(3,5-difluorophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pencycuron
CID 91692
N-(4-Chlorobenzyl)-N'-phenylurea
CID 4150009
(3R,4R)-3-amino-N-phenyl-4-(2,4,5-trifluorophenyl)piperidine-1-carboxamide
CID 16202915
1-(4-Chloro-phenyl)-3-(3,3-diphenyl-allyl)-urea
CID 44265973
N-(4-chlorophenyl)-3-methyl-3-phenylpiperidine-1-carboxamide
CID 44555473
1-(4-Chlorobenzyl)-3-(4-fluorophenyl)urea
CID 894911
N-[1-(2-chloro-6-fluorobenzyl)-4-piperidinyl]-N'-(2,4-difluorophenyl)urea
CID 2810578
N-[2-(tert-butyl)phenyl]-N'-[1-(2-chloro-6-fluorobenzyl)-4-piperidinyl]urea
CID 2810581
N-(4-chlorophenyl)-N'-[3-(3,4-dihydro-2(1H)-isoquinolinyl)propyl]urea
CID 2214231
N-{[1-(3-chlorobenzyl)piperidin-4-yl]methyl}-N'-(4-chlorophenyl)urea
CID 6625088
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-N'-[2-(trifluoromethyl)phenyl]urea
CID 15989718
N-(4-chlorophenyl)-N'-{[1-(2,5-dimethylbenzyl)piperidin-4-yl]methyl}urea
CID 22430352

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3S)-3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-(3,5-difluorophenyl)urea?
The IUPAC name of 1-[(1R,3S)-3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-(3,5-difluorophenyl)urea (CID 25009535) is 1-[(1R,3S)-3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-(3,5-difluorophenyl)urea.
What is the SMILES notation for 1-[(1R,3S)-3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-(3,5-difluorophenyl)urea?
The canonical SMILES for 1-[(1R,3S)-3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-(3,5-difluorophenyl)urea is O=C(Nc1cc(F)cc(F)c1)N[C@@H]1CC[C@H](CN2CCC(c3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of 1-[(1R,3S)-3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-(3,5-difluorophenyl)urea?
The InChIKey is OBJKZIJRLUUVIJ-KSFYIVLOSA-N. The full InChI is InChI=1S/C24H28ClF2N3O/c25-19-4-2-17(3-5-19)18-7-9-30(10-8-18)15-16-1-6-22(11-16)28-24(31)29-23-13-20(26)12-21(27)14-23/h2-5,12-14,16,18,22H,1,6-11,15H2,(H2,28,29,31)/t16-,22+/m0/s1.
What are the key properties of 1-[(1R,3S)-3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-(3,5-difluorophenyl)urea?
1-[(1R,3S)-3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-(3,5-difluorophenyl)urea has a molecular weight of 447.96 g/mol, XLogP of 5.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3S)-3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-(3,5-difluorophenyl)urea is sourced from PubChem (CID 25009535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).