1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[(1S,2S)-2-(hydroxymethyl)cyclopentyl]urea

C19H28FN3O2 — CID 95930533

IUPAC1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[(1S,2S)-2-(hydroxymethyl)cyclopentyl]urea
SMILESO=C(NC1CCN(Cc2ccc(F)cc2)CC1)N[C@H]1CCC[C@@H]1CO
InChIInChI=1S/C19H28FN3O2/c20-16-6-4-14(5-7-16)12-23-10-8-17(9-11-23)21-19(25)22-18-3-1-2-15(18)13-24/h4-7,15,17-18,24H,1-3,8-13H2,(H2,21,22,25)/t15-,18+/m1/s1
InChIKeyFCWDQKBIMQBMFW-QAPCUYQASA-N
MW349.45 g/mol
LogP2.25
Rot. Bonds5

About 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[(1S,2S)-2-(hydroxymethyl)cyclopentyl]urea

1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[(1S,2S)-2-(hydroxymethyl)cyclopentyl]urea (PubChem CID 95930533) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[(1S,2S)-2-(hydroxymethyl)cyclopentyl]urea.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[(1S,2S)-2-(hydroxymethyl)cyclopentyl]urea
PubChem CID95930533
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC Name1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[(1S,2S)-2-(hydroxymethyl)cyclopentyl]urea
SMILESO=C(NC1CCN(Cc2ccc(F)cc2)CC1)N[C@H]1CCC[C@@H]1CO
InChIInChI=1S/C19H28FN3O2/c20-16-6-4-14(5-7-16)12-23-10-8-17(9-11-23)21-19(25)22-18-3-1-2-15(18)13-24/h4-7,15,17-18,24H,1-3,8-13H2,(H2,21,22,25)/t15-,18+/m1/s1
InChIKeyFCWDQKBIMQBMFW-QAPCUYQASA-N
XLogP2.25
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[(1S,2S)-2-(hydroxymethyl)cyclopentyl]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

1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-hydroxycyclohexyl)urea
CID 110933322
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-methylcyclohexyl)urea
CID 87034548
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(oxan-3-yl)urea
CID 138998311
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
1-[1-(3-fluorophenyl)piperidin-4-yl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111631108
2,2,2-trifluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 126711751
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110901440
2,2-difluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 158389196
1-amino-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119844644
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzotriazol-4-yl)-3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]urea
CID 133108358
[2-[(1-benzylpyrrolidin-3-yl)amino]cyclopentyl]methanol
CID 103709861
2-[ethyl(methyl)amino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]butanamide
CID 131930881

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[(1S,2S)-2-(hydroxymethyl)cyclopentyl]urea?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[(1S,2S)-2-(hydroxymethyl)cyclopentyl]urea (CID 95930533) is 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[(1S,2S)-2-(hydroxymethyl)cyclopentyl]urea.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[(1S,2S)-2-(hydroxymethyl)cyclopentyl]urea?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[(1S,2S)-2-(hydroxymethyl)cyclopentyl]urea is O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N[C@H]1CCC[C@@H]1CO.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[(1S,2S)-2-(hydroxymethyl)cyclopentyl]urea?
The InChIKey is FCWDQKBIMQBMFW-QAPCUYQASA-N. The full InChI is InChI=1S/C19H28FN3O2/c20-16-6-4-14(5-7-16)12-23-10-8-17(9-11-23)21-19(25)22-18-3-1-2-15(18)13-24/h4-7,15,17-18,24H,1-3,8-13H2,(H2,21,22,25)/t15-,18+/m1/s1.
What are the key properties of 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[(1S,2S)-2-(hydroxymethyl)cyclopentyl]urea?
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[(1S,2S)-2-(hydroxymethyl)cyclopentyl]urea has a molecular weight of 349.45 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[(1S,2S)-2-(hydroxymethyl)cyclopentyl]urea is sourced from PubChem (CID 95930533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).