1-benzyl-1-(1-butylpiperidin-4-yl)-3-(3-cyanophenyl)urea

C24H30N4O — CID 126711610

IUPAC1-benzyl-1-(1-butylpiperidin-4-yl)-3-(3-cyanophenyl)urea
SMILESCCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2cccc(C#N)c2)CC1
InChIInChI=1S/C24H30N4O/c1-2-3-14-27-15-12-23(13-16-27)28(19-20-8-5-4-6-9-20)24(29)26-22-11-7-10-21(17-22)18-25/h4-11,17,23H,2-3,12-16,19H2,1H3,(H,26,29)
InChIKeyJSYDXBRADWMZDW-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.86
Rot. Bonds7

About 1-benzyl-1-(1-butylpiperidin-4-yl)-3-(3-cyanophenyl)urea

1-benzyl-1-(1-butylpiperidin-4-yl)-3-(3-cyanophenyl)urea (PubChem CID 126711610) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-benzyl-1-(1-butylpiperidin-4-yl)-3-(3-cyanophenyl)urea.

Molecular Properties

Compound Name1-benzyl-1-(1-butylpiperidin-4-yl)-3-(3-cyanophenyl)urea
PubChem CID126711610
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name1-benzyl-1-(1-butylpiperidin-4-yl)-3-(3-cyanophenyl)urea
SMILESCCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2cccc(C#N)c2)CC1
InChIInChI=1S/C24H30N4O/c1-2-3-14-27-15-12-23(13-16-27)28(19-20-8-5-4-6-9-20)24(29)26-22-11-7-10-21(17-22)18-25/h4-11,17,23H,2-3,12-16,19H2,1H3,(H,26,29)
InChIKeyJSYDXBRADWMZDW-UHFFFAOYSA-N
XLogP4.86
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Atglistatin
CID 71699712
1-Benzyl-1-methyl-3-phenylurea
CID 306455
3-(1-Benzylpiperidin-4-yl)-1-phenylurea
CID 4064342
1-Benzyl-4-(m-toluidino)piperidine-4-carbonitrile
CID 70416
1,1-Dibenzyl-3-(M-tolyl)urea
CID 3404984
3-{2-[Ethyl(3-methylphenyl)amino]ethyl}-1-(2-methylphenyl)urea
CID 4996665
(2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2,4-difluorophenyl)-2,5-dimethylpiperazine-1-carboxamide
CID 11178122
3-{2-[Ethyl(3-methylphenyl)amino]ethyl}-1-phenylurea
CID 24768227
3-{2-[Ethyl(3-methylphenyl)amino]ethyl}-1-(2-fluorophenyl)urea
CID 24768228
1-(Biphenyl-4-yl)-3-(4-(piperidin-1-yl)butyl)urea
CID 46831055
1-(1-Propionylpiperidin-4-yl)-3-m-tolylurea
CID 49782798
N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 2987636

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-(1-butylpiperidin-4-yl)-3-(3-cyanophenyl)urea?
The IUPAC name of 1-benzyl-1-(1-butylpiperidin-4-yl)-3-(3-cyanophenyl)urea (CID 126711610) is 1-benzyl-1-(1-butylpiperidin-4-yl)-3-(3-cyanophenyl)urea.
What is the SMILES notation for 1-benzyl-1-(1-butylpiperidin-4-yl)-3-(3-cyanophenyl)urea?
The canonical SMILES for 1-benzyl-1-(1-butylpiperidin-4-yl)-3-(3-cyanophenyl)urea is CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2cccc(C#N)c2)CC1.
What is the InChIKey of 1-benzyl-1-(1-butylpiperidin-4-yl)-3-(3-cyanophenyl)urea?
The InChIKey is JSYDXBRADWMZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-2-3-14-27-15-12-23(13-16-27)28(19-20-8-5-4-6-9-20)24(29)26-22-11-7-10-21(17-22)18-25/h4-11,17,23H,2-3,12-16,19H2,1H3,(H,26,29).
What are the key properties of 1-benzyl-1-(1-butylpiperidin-4-yl)-3-(3-cyanophenyl)urea?
1-benzyl-1-(1-butylpiperidin-4-yl)-3-(3-cyanophenyl)urea has a molecular weight of 390.53 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-(1-butylpiperidin-4-yl)-3-(3-cyanophenyl)urea is sourced from PubChem (CID 126711610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).