1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(3-phenylbutyl)urea

C24H31N3O2 — CID 69353611

IUPAC1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(3-phenylbutyl)urea
SMILESCC(CCNC(=O)Nc1cccc(C(=O)C2CCN(C)CC2)c1)c1ccccc1
InChIInChI=1S/C24H31N3O2/c1-18(19-7-4-3-5-8-19)11-14-25-24(29)26-22-10-6-9-21(17-22)23(28)20-12-15-27(2)16-13-20/h3-10,17-18,20H,11-16H2,1-2H3,(H2,25,26,29)
InChIKeyPXCMMZOGDJFQGX-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.53
Rot. Bonds7

About 1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(3-phenylbutyl)urea

1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(3-phenylbutyl)urea (PubChem CID 69353611) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(3-phenylbutyl)urea.

Molecular Properties

Compound Name1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(3-phenylbutyl)urea
PubChem CID69353611
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(3-phenylbutyl)urea
SMILESCC(CCNC(=O)Nc1cccc(C(=O)C2CCN(C)CC2)c1)c1ccccc1
InChIInChI=1S/C24H31N3O2/c1-18(19-7-4-3-5-8-19)11-14-25-24(29)26-22-10-6-9-21(17-22)23(28)20-12-15-27(2)16-13-20/h3-10,17-18,20H,11-16H2,1-2H3,(H2,25,26,29)
InChIKeyPXCMMZOGDJFQGX-UHFFFAOYSA-N
XLogP4.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide;(2R)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide
CID 160998989
N-cyclopropyl-3-(2-phenylpropylcarbamoylamino)benzamide
CID 47033148
1-methyl-3-[3-(1-methylpiperidine-4-carbonyl)phenyl]thiourea
CID 86759511
1-(aminomethyl)-3-[3-(1-methylpiperidine-4-carbonyl)phenyl]-1-phenylthiourea
CID 174366758
N-[3-(3,3-diphenylpropylcarbamoylamino)phenyl]acetamide
CID 31957316
1-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-3-[(3S)-3-phenylbutyl]urea
CID 95622136
[3-(butoxyamino)phenyl]-(1-methylpiperidin-4-yl)methanone
CID 87797066
N-(3-phenylbutyl)benzamide
CID 62403316
1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(2,3,4,5-tetrafluorophenyl)urea;octanoic acid
CID 87796576
1-(3-methylbutyl)-3-(3-pyrrolidin-1-ylphenyl)urea
CID 52738068
1-[3-[3-(trifluoromethyl)phenyl]butylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122004719
1-[3-(2-methylphenyl)phenyl]-3-[3-(4-methylpiperazin-1-yl)butyl]urea
CID 118764189

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(3-phenylbutyl)urea?
The IUPAC name of 1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(3-phenylbutyl)urea (CID 69353611) is 1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(3-phenylbutyl)urea.
What is the SMILES notation for 1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(3-phenylbutyl)urea?
The canonical SMILES for 1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(3-phenylbutyl)urea is CC(CCNC(=O)Nc1cccc(C(=O)C2CCN(C)CC2)c1)c1ccccc1.
What is the InChIKey of 1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(3-phenylbutyl)urea?
The InChIKey is PXCMMZOGDJFQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-18(19-7-4-3-5-8-19)11-14-25-24(29)26-22-10-6-9-21(17-22)23(28)20-12-15-27(2)16-13-20/h3-10,17-18,20H,11-16H2,1-2H3,(H2,25,26,29).
What are the key properties of 1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(3-phenylbutyl)urea?
1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(3-phenylbutyl)urea has a molecular weight of 393.53 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(3-phenylbutyl)urea is sourced from PubChem (CID 69353611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).