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

C15H24N4O2 — CID 111337198

IUPAC1-(3-hydroxybutyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
SMILESCC(O)CCNC(=O)NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H24N4O2/c1-12(20)5-9-17-15(21)18-13-6-10-19(11-7-13)14-4-2-3-8-16-14/h2-4,8,12-13,20H,5-7,9-11H2,1H3,(H2,17,18,21)
InChIKeyHLEQIPGLLOCHJZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.12
Rot. Bonds5

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

1-(3-hydroxybutyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea (PubChem CID 111337198) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(3-hydroxybutyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(3-hydroxybutyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
PubChem CID111337198
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-(3-hydroxybutyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
SMILESCC(O)CCNC(=O)NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H24N4O2/c1-12(20)5-9-17-15(21)18-13-6-10-19(11-7-13)14-4-2-3-8-16-14/h2-4,8,12-13,20H,5-7,9-11H2,1H3,(H2,17,18,21)
InChIKeyHLEQIPGLLOCHJZ-UHFFFAOYSA-N
XLogP1.12
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid
CID 69019671
1-[(2R)-butan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 94148159
N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]propyl]acetamide
CID 143220536
1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 111504795
1-(2-phenylethyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 90621427
1-(3-methylsulfanylpropyl)-3-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97240988
1-[(3S)-3-phenylbutyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 52511655
5-amino-4-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)pentanamide
CID 82013435
1-(3-hydroxy-4-methylpentyl)-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea
CID 111506440
3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide
CID 61250819
2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 103514862
1-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 166181043

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxybutyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
The IUPAC name of 1-(3-hydroxybutyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea (CID 111337198) is 1-(3-hydroxybutyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(3-hydroxybutyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 1-(3-hydroxybutyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea is CC(O)CCNC(=O)NC1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-(3-hydroxybutyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
The InChIKey is HLEQIPGLLOCHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12(20)5-9-17-15(21)18-13-6-10-19(11-7-13)14-4-2-3-8-16-14/h2-4,8,12-13,20H,5-7,9-11H2,1H3,(H2,17,18,21).
What are the key properties of 1-(3-hydroxybutyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
1-(3-hydroxybutyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea has a molecular weight of 292.38 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxybutyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 111337198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).