1-[(2R)-butan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea

C15H24N4O — CID 94148159

IUPAC1-[(2R)-butan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
SMILESCC[C@@H](C)NC(=O)NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H24N4O/c1-3-12(2)17-15(20)18-13-7-10-19(11-8-13)14-6-4-5-9-16-14/h4-6,9,12-13H,3,7-8,10-11H2,1-2H3,(H2,17,18,20)/t12-/m1/s1
InChIKeyYEZBEUAISVRBPN-GFCCVEGCSA-N
MW276.38 g/mol
LogP2.15
Rot. Bonds4

About 1-[(2R)-butan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea

1-[(2R)-butan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea (PubChem CID 94148159) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[(2R)-butan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
PubChem CID94148159
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-[(2R)-butan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
SMILESCC[C@@H](C)NC(=O)NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H24N4O/c1-3-12(2)17-15(20)18-13-7-10-19(11-8-13)14-6-4-5-9-16-14/h4-6,9,12-13H,3,7-8,10-11H2,1-2H3,(H2,17,18,20)/t12-/m1/s1
InChIKeyYEZBEUAISVRBPN-GFCCVEGCSA-N
XLogP2.15
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]propyl]acetamide
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1-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 94171475
1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 111504795
1-(3-hydroxybutyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 111337198
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
2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid
CID 69019671
5-amino-4-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)pentanamide
CID 82013435
1-[2-(2-methylpropoxy)phenyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 87010573
1-[(2S)-butan-2-yl]-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea
CID 95053319
1-(2-methylcyclopentyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 56826840
3-amino-4-oxo-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]butanoic acid
CID 64895091

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
The IUPAC name of 1-[(2R)-butan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea (CID 94148159) is 1-[(2R)-butan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[(2R)-butan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 1-[(2R)-butan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea is CC[C@@H](C)NC(=O)NC1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-[(2R)-butan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
The InChIKey is YEZBEUAISVRBPN-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-12(2)17-15(20)18-13-7-10-19(11-8-13)14-6-4-5-9-16-14/h4-6,9,12-13H,3,7-8,10-11H2,1-2H3,(H2,17,18,20)/t12-/m1/s1.
What are the key properties of 1-[(2R)-butan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
1-[(2R)-butan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea has a molecular weight of 276.38 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-butan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 94148159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).