1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea

C14H17N3O2 — CID 62522293

IUPAC1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
SMILESN#Cc1ccc(NC(=O)NC2(CO)CCCC2)cc1
InChIInChI=1S/C14H17N3O2/c15-9-11-3-5-12(6-4-11)16-13(19)17-14(10-18)7-1-2-8-14/h3-6,18H,1-2,7-8,10H2,(H2,16,17,19)
InChIKeyUUGYTAVGFSHUTH-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.98
Rot. Bonds3

About 1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea

1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea (PubChem CID 62522293) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
PubChem CID62522293
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
SMILESN#Cc1ccc(NC(=O)NC2(CO)CCCC2)cc1
InChIInChI=1S/C14H17N3O2/c15-9-11-3-5-12(6-4-11)16-13(19)17-14(10-18)7-1-2-8-14/h3-6,18H,1-2,7-8,10H2,(H2,16,17,19)
InChIKeyUUGYTAVGFSHUTH-UHFFFAOYSA-N
XLogP1.98
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclohexyl]urea
CID 62520959
1-(4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 62521940
2-[1-(4-cyanoanilino)cyclopentyl]acetic acid
CID 64701364
2-[1-(4-cyanoanilino)cyclobutyl]acetic acid
CID 79845517
1-(4-cyanophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 115619734
1-[(1-aminocyclohexyl)methyl]-3-(4-cyanophenyl)urea
CID 61300035
1-(3-chloro-4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 111925826
1-(3-cyanophenyl)-3-[1-(hydroxymethyl)-4-methylcyclohexyl]urea
CID 62526001
1-[1-(hydroxymethyl)cyclopentyl]-3-(3,4,5-trifluorophenyl)urea
CID 111926557
2-[1-[(4-bromophenyl)carbamoylamino]cyclopentyl]acetic acid
CID 64702006
4-[[1-(aminomethyl)cyclopentyl]amino]benzonitrile
CID 63889602
1-[(4-cyanophenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 55035312

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea?
The IUPAC name of 1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea (CID 62522293) is 1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea?
The canonical SMILES for 1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea is N#Cc1ccc(NC(=O)NC2(CO)CCCC2)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea?
The InChIKey is UUGYTAVGFSHUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-9-11-3-5-12(6-4-11)16-13(19)17-14(10-18)7-1-2-8-14/h3-6,18H,1-2,7-8,10H2,(H2,16,17,19).
What are the key properties of 1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea?
1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea has a molecular weight of 259.31 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea is sourced from PubChem (CID 62522293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).