1-(4-phenylbutyl)-3-piperidin-4-ylurea

C16H25N3O — CID 154665761

IUPAC1-(4-phenylbutyl)-3-piperidin-4-ylurea
SMILESO=C(NCCCCc1ccccc1)NC1CCNCC1
InChIInChI=1S/C16H25N3O/c20-16(19-15-9-12-17-13-10-15)18-11-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,15,17H,4-5,8-13H2,(H2,18,19,20)
InChIKeyCCCMGMQJIYUKKO-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.06
Rot. Bonds6

About 1-(4-phenylbutyl)-3-piperidin-4-ylurea

1-(4-phenylbutyl)-3-piperidin-4-ylurea (PubChem CID 154665761) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(4-phenylbutyl)-3-piperidin-4-ylurea.

Molecular Properties

Compound Name1-(4-phenylbutyl)-3-piperidin-4-ylurea
PubChem CID154665761
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-(4-phenylbutyl)-3-piperidin-4-ylurea
SMILESO=C(NCCCCc1ccccc1)NC1CCNCC1
InChIInChI=1S/C16H25N3O/c20-16(19-15-9-12-17-13-10-15)18-11-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,15,17H,4-5,8-13H2,(H2,18,19,20)
InChIKeyCCCMGMQJIYUKKO-UHFFFAOYSA-N
XLogP2.06
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-Cyclohexyl-N'-(Propyl)Phenyl Urea
CID 4358
Phenethylurea
CID 75089
N,N'-Bis(2-phenylethyl)urea
CID 95244
N-benzylpiperazine-1-carboxamide hydrochloride
CID 17400262
1-Benzyl-3-cyclohexylurea
CID 544877
4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
(2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-(piperidin-4-yl)-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11675645
1-Cyclohexyl-3-(2-phenylethyl)urea
CID 742677
4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide
CID 1358608
N-benzyl-4-cyclopentylpiperazine-1-carboxamide
CID 40012125
5-Methyl-1-(1-phenethyl-piperidin-4-yl)-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10522613
Urea, (2-cyclohexyl-2-phenylethyl)-
CID 6472454

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylbutyl)-3-piperidin-4-ylurea?
The IUPAC name of 1-(4-phenylbutyl)-3-piperidin-4-ylurea (CID 154665761) is 1-(4-phenylbutyl)-3-piperidin-4-ylurea.
What is the SMILES notation for 1-(4-phenylbutyl)-3-piperidin-4-ylurea?
The canonical SMILES for 1-(4-phenylbutyl)-3-piperidin-4-ylurea is O=C(NCCCCc1ccccc1)NC1CCNCC1.
What is the InChIKey of 1-(4-phenylbutyl)-3-piperidin-4-ylurea?
The InChIKey is CCCMGMQJIYUKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c20-16(19-15-9-12-17-13-10-15)18-11-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,15,17H,4-5,8-13H2,(H2,18,19,20).
What are the key properties of 1-(4-phenylbutyl)-3-piperidin-4-ylurea?
1-(4-phenylbutyl)-3-piperidin-4-ylurea has a molecular weight of 275.40 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylbutyl)-3-piperidin-4-ylurea is sourced from PubChem (CID 154665761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).