1-(2-methylcyclopentyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea

C17H26N4O — CID 56826840

IUPAC1-(2-methylcyclopentyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
SMILESCC1CCCC1NC(=O)NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H26N4O/c1-13-5-4-6-15(13)20-17(22)19-14-8-11-21(12-9-14)16-7-2-3-10-18-16/h2-3,7,10,13-15H,4-6,8-9,11-12H2,1H3,(H2,19,20,22)
InChIKeyGNIUOBBQWBDDOG-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.54
Rot. Bonds3

About 1-(2-methylcyclopentyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea

1-(2-methylcyclopentyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea (PubChem CID 56826840) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(2-methylcyclopentyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(2-methylcyclopentyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
PubChem CID56826840
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name1-(2-methylcyclopentyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
SMILESCC1CCCC1NC(=O)NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H26N4O/c1-13-5-4-6-15(13)20-17(22)19-14-8-11-21(12-9-14)16-7-2-3-10-18-16/h2-3,7,10,13-15H,4-6,8-9,11-12H2,1H3,(H2,19,20,22)
InChIKeyGNIUOBBQWBDDOG-UHFFFAOYSA-N
XLogP2.54
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2S)-2-methylcyclohexyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 51642051
N-(2,3-dimethylcyclohexyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43765340
3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide
CID 61250819
1-[(2R)-butan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 94148159
2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid
CID 69019671
2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 103514862
1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 111504795
ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 91102074
2-amino-N-(1-pyridin-2-ylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 64823326
1-(3-hydroxybutyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 111337198
1-(4-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 86989106
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 111630604

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclopentyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
The IUPAC name of 1-(2-methylcyclopentyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea (CID 56826840) is 1-(2-methylcyclopentyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(2-methylcyclopentyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 1-(2-methylcyclopentyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea is CC1CCCC1NC(=O)NC1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-(2-methylcyclopentyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
The InChIKey is GNIUOBBQWBDDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-13-5-4-6-15(13)20-17(22)19-14-8-11-21(12-9-14)16-7-2-3-10-18-16/h2-3,7,10,13-15H,4-6,8-9,11-12H2,1H3,(H2,19,20,22).
What are the key properties of 1-(2-methylcyclopentyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
1-(2-methylcyclopentyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea has a molecular weight of 302.42 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopentyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 56826840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).