1-[(1R)-1-(3-cyanophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)urea

C20H28N4O — CID 97088779

IUPAC1-[(1R)-1-(3-cyanophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)urea
SMILESC[C@@H](NC(=O)NC1CCN(C2CCCC2)CC1)c1cccc(C#N)c1
InChIInChI=1S/C20H28N4O/c1-15(17-6-4-5-16(13-17)14-21)22-20(25)23-18-9-11-24(12-10-18)19-7-2-3-8-19/h4-6,13,15,18-19H,2-3,7-12H2,1H3,(H2,22,23,25)/t15-/m1/s1
InChIKeyWSHIYHPZDKXSAE-OAHLLOKOSA-N
MW340.47 g/mol
LogP3.33
Rot. Bonds4

About 1-[(1R)-1-(3-cyanophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)urea

1-[(1R)-1-(3-cyanophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)urea (PubChem CID 97088779) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[(1R)-1-(3-cyanophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(3-cyanophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)urea
PubChem CID97088779
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name1-[(1R)-1-(3-cyanophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)urea
SMILESC[C@@H](NC(=O)NC1CCN(C2CCCC2)CC1)c1cccc(C#N)c1
InChIInChI=1S/C20H28N4O/c1-15(17-6-4-5-16(13-17)14-21)22-20(25)23-18-9-11-24(12-10-18)19-7-2-3-8-19/h4-6,13,15,18-19H,2-3,7-12H2,1H3,(H2,22,23,25)/t15-/m1/s1
InChIKeyWSHIYHPZDKXSAE-OAHLLOKOSA-N
XLogP3.33
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1R)-1-(3-cyanophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)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-(3-chloro-4-fluorophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)urea
CID 126774275
(3R)-N-[(1S)-1-(3-cyanophenyl)ethyl]-4-cyclopentylmorpholine-3-carboxamide
CID 124884894
1-cyclobutyl-3-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]urea
CID 116658753
1-[(1R)-1-(3-cyanophenyl)ethyl]-3-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 96537541
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzonitrile
CID 43775849
3-[1-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]ethyl]benzonitrile
CID 65471212
1-(4-hydroxycyclohexyl)-3-[(1S)-1-(3-pyrrolidin-1-ylphenyl)ethyl]urea
CID 97050637
1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486
1-cyclopentyl-3-[(1R)-1-naphthalen-2-ylethyl]urea
CID 29026952
1-[(1S)-1-(3-cyanophenyl)ethyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 95969459
(2R)-2-[(3-cyanophenyl)carbamoylamino]-N-cyclopentylpropanamide
CID 94779767

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-cyanophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)urea?
The IUPAC name of 1-[(1R)-1-(3-cyanophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)urea (CID 97088779) is 1-[(1R)-1-(3-cyanophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[(1R)-1-(3-cyanophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)urea?
The canonical SMILES for 1-[(1R)-1-(3-cyanophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)urea is C[C@@H](NC(=O)NC1CCN(C2CCCC2)CC1)c1cccc(C#N)c1.
What is the InChIKey of 1-[(1R)-1-(3-cyanophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)urea?
The InChIKey is WSHIYHPZDKXSAE-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H28N4O/c1-15(17-6-4-5-16(13-17)14-21)22-20(25)23-18-9-11-24(12-10-18)19-7-2-3-8-19/h4-6,13,15,18-19H,2-3,7-12H2,1H3,(H2,22,23,25)/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-(3-cyanophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)urea?
1-[(1R)-1-(3-cyanophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)urea has a molecular weight of 340.47 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-cyanophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)urea is sourced from PubChem (CID 97088779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).