1-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3-phenylurea

C24H29N3O4 — CID 146120286

IUPAC1-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3-phenylurea
SMILESCOc1ccc([C@H]2C[C@H](NC(=O)Nc3ccccc3)C[C@@H]2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H29N3O4/c1-30-20-9-7-17(8-10-20)21-15-19(26-24(29)25-18-5-3-2-4-6-18)16-22(21)23(28)27-11-13-31-14-12-27/h2-10,19,21-22H,11-16H2,1H3,(H2,25,26,29)/t19-,21+,22-/m0/s1
InChIKeyWWUIIVDQSDGLCG-NNWRFLSQSA-N
MW423.51 g/mol
LogP3.24
Rot. Bonds5

About 1-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3-phenylurea

1-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3-phenylurea (PubChem CID 146120286) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 1-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3-phenylurea
PubChem CID146120286
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name1-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3-phenylurea
SMILESCOc1ccc([C@H]2C[C@H](NC(=O)Nc3ccccc3)C[C@@H]2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H29N3O4/c1-30-20-9-7-17(8-10-20)21-15-19(26-24(29)25-18-5-3-2-4-6-18)16-22(21)23(28)27-11-13-31-14-12-27/h2-10,19,21-22H,11-16H2,1H3,(H2,25,26,29)/t19-,21+,22-/m0/s1
InChIKeyWWUIIVDQSDGLCG-NNWRFLSQSA-N
XLogP3.24
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3-phenylurea 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

1-(3-fluorophenyl)-3-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea
CID 146120284
1-(3,5-difluorophenyl)-3-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea
CID 146120411
3-fluoro-N-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzenesulfonamide
CID 146120343
N-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-1-methylimidazole-4-sulfonamide
CID 146120348
[(1S,2S,4S)-2-(4-methoxyphenyl)-4-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentyl]-morpholin-4-ylmethanone
CID 146120324
[4-(4-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 42825231
[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 98772739
[(1S,2S,4S)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylamino]cyclopentyl]-(4-methylpiperazin-1-yl)methanone
CID 146120253
1-[3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 42825906
1-[8-(4-methoxyphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-phenylurea
CID 644582
3,5-difluoro-N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzamide
CID 146120417
[(1S,2S,4S)-4-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone
CID 146120252

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3-phenylurea?
The IUPAC name of 1-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3-phenylurea (CID 146120286) is 1-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3-phenylurea.
What is the SMILES notation for 1-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3-phenylurea?
The canonical SMILES for 1-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3-phenylurea is COc1ccc([C@H]2C[C@H](NC(=O)Nc3ccccc3)C[C@@H]2C(=O)N2CCOCC2)cc1.
What is the InChIKey of 1-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3-phenylurea?
The InChIKey is WWUIIVDQSDGLCG-NNWRFLSQSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-30-20-9-7-17(8-10-20)21-15-19(26-24(29)25-18-5-3-2-4-6-18)16-22(21)23(28)27-11-13-31-14-12-27/h2-10,19,21-22H,11-16H2,1H3,(H2,25,26,29)/t19-,21+,22-/m0/s1.
What are the key properties of 1-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3-phenylurea?
1-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3-phenylurea has a molecular weight of 423.51 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3-phenylurea is sourced from PubChem (CID 146120286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).