1-(4-cyanophenyl)-3-(1-piperidin-3-ylethyl)urea

C15H20N4O — CID 62047244

IUPAC1-(4-cyanophenyl)-3-(1-piperidin-3-ylethyl)urea
SMILESCC(NC(=O)Nc1ccc(C#N)cc1)C1CCCNC1
InChIInChI=1S/C15H20N4O/c1-11(13-3-2-8-17-10-13)18-15(20)19-14-6-4-12(9-16)5-7-14/h4-7,11,13,17H,2-3,8,10H2,1H3,(H2,18,19,20)
InChIKeyMWIBMSBYPUJJKQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.07
Rot. Bonds3

About 1-(4-cyanophenyl)-3-(1-piperidin-3-ylethyl)urea

1-(4-cyanophenyl)-3-(1-piperidin-3-ylethyl)urea (PubChem CID 62047244) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-(1-piperidin-3-ylethyl)urea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-(1-piperidin-3-ylethyl)urea
PubChem CID62047244
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-(4-cyanophenyl)-3-(1-piperidin-3-ylethyl)urea
SMILESCC(NC(=O)Nc1ccc(C#N)cc1)C1CCCNC1
InChIInChI=1S/C15H20N4O/c1-11(13-3-2-8-17-10-13)18-15(20)19-14-6-4-12(9-16)5-7-14/h4-7,11,13,17H,2-3,8,10H2,1H3,(H2,18,19,20)
InChIKeyMWIBMSBYPUJJKQ-UHFFFAOYSA-N
XLogP2.07
TPSA76.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyanophenyl)-3-[(3R)-piperidin-3-yl]urea
CID 113436695
1-(1-piperidin-3-ylethyl)-3-propan-2-ylurea
CID 43523388
2-(azetidin-3-yl)-N-(4-cyanophenyl)propanamide
CID 116674524
1-benzyl-3-(1-piperidin-3-ylethyl)urea
CID 107653393
1-(4-cyanophenyl)-3-(3-methylbutan-2-yl)urea
CID 47159354
2-[(4-cyanophenyl)carbamoylamino]-2-cyclopropylacetic acid
CID 62695579
1-(4-cyanophenyl)-3-piperidin-4-ylurea
CID 43345800
1-tert-butyl-3-[(1S)-1-[(3S)-piperidin-3-yl]ethyl]urea
CID 93096345
1-(1-piperidin-3-ylethyl)-3-propylurea
CID 43523385
(2R)-2-acetamido-N-(4-cyanophenyl)-2-cyclopentylacetamide
CID 25469679
3-piperidin-3-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]butanamide;hydrochloride
CID 119730353
1-[(1S)-1-cyclopropylethyl]-3-(4-methylphenyl)urea
CID 51641371

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-(1-piperidin-3-ylethyl)urea?
The IUPAC name of 1-(4-cyanophenyl)-3-(1-piperidin-3-ylethyl)urea (CID 62047244) is 1-(4-cyanophenyl)-3-(1-piperidin-3-ylethyl)urea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-(1-piperidin-3-ylethyl)urea?
The canonical SMILES for 1-(4-cyanophenyl)-3-(1-piperidin-3-ylethyl)urea is CC(NC(=O)Nc1ccc(C#N)cc1)C1CCCNC1.
What is the InChIKey of 1-(4-cyanophenyl)-3-(1-piperidin-3-ylethyl)urea?
The InChIKey is MWIBMSBYPUJJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(13-3-2-8-17-10-13)18-15(20)19-14-6-4-12(9-16)5-7-14/h4-7,11,13,17H,2-3,8,10H2,1H3,(H2,18,19,20).
What are the key properties of 1-(4-cyanophenyl)-3-(1-piperidin-3-ylethyl)urea?
1-(4-cyanophenyl)-3-(1-piperidin-3-ylethyl)urea has a molecular weight of 272.35 g/mol, XLogP of 2.07, 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-piperidin-3-ylethyl)urea is sourced from PubChem (CID 62047244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).