1-(4-aminobutyl)-3-[1-(3-benzylpiperidin-1-yl)-3-naphthalen-2-yl-1-oxopropan-2-yl]urea

C30H38N4O2 — CID 143866803

IUPAC1-(4-aminobutyl)-3-[1-(3-benzylpiperidin-1-yl)-3-naphthalen-2-yl-1-oxopropan-2-yl]urea
SMILESNCCCCNC(=O)NC(Cc1ccc2ccccc2c1)C(=O)N1CCCC(Cc2ccccc2)C1
InChIInChI=1S/C30H38N4O2/c31-16-6-7-17-32-30(36)33-28(21-24-14-15-26-12-4-5-13-27(26)20-24)29(35)34-18-8-11-25(22-34)19-23-9-2-1-3-10-23/h1-5,9-10,12-15,20,25,28H,6-8,11,16-19,21-22,31H2,(H2,32,33,36)
InChIKeyMBEWZCGQXGACSY-UHFFFAOYSA-N
MW486.66 g/mol
LogP4.27
Rot. Bonds10

About 1-(4-aminobutyl)-3-[1-(3-benzylpiperidin-1-yl)-3-naphthalen-2-yl-1-oxopropan-2-yl]urea

1-(4-aminobutyl)-3-[1-(3-benzylpiperidin-1-yl)-3-naphthalen-2-yl-1-oxopropan-2-yl]urea (PubChem CID 143866803) has the molecular formula C30H38N4O2 and a molecular weight of 486.66 g/mol. Its IUPAC name is 1-(4-aminobutyl)-3-[1-(3-benzylpiperidin-1-yl)-3-naphthalen-2-yl-1-oxopropan-2-yl]urea.

Molecular Properties

Compound Name1-(4-aminobutyl)-3-[1-(3-benzylpiperidin-1-yl)-3-naphthalen-2-yl-1-oxopropan-2-yl]urea
PubChem CID143866803
Molecular FormulaC30H38N4O2
Molecular Weight486.66 g/mol
Exact Mass486.30
IUPAC Name1-(4-aminobutyl)-3-[1-(3-benzylpiperidin-1-yl)-3-naphthalen-2-yl-1-oxopropan-2-yl]urea
SMILESNCCCCNC(=O)NC(Cc1ccc2ccccc2c1)C(=O)N1CCCC(Cc2ccccc2)C1
InChIInChI=1S/C30H38N4O2/c31-16-6-7-17-32-30(36)33-28(21-24-14-15-26-12-4-5-13-27(26)20-24)29(35)34-18-8-11-25(22-34)19-23-9-2-1-3-10-23/h1-5,9-10,12-15,20,25,28H,6-8,11,16-19,21-22,31H2,(H2,32,33,36)
InChIKeyMBEWZCGQXGACSY-UHFFFAOYSA-N
XLogP4.27
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.66
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-aminobutyl)-3-[1-(3-benzylpiperidin-1-yl)-3-naphthalen-2-yl-1-oxopropan-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-benzylpiperidine-3-carboxamide
CID 58590778
(2S)-2-[[(1S)-5-[[(2S)-2-[[4-(aminomethyl)piperidine-1-carbonyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-1-carboxypentyl]carbamoylamino]pentanedioic acid
CID 167494925
N-[(2R)-1-(5-aminopentylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2-ethylbutanoyl)pyrrolidine-2-carboxamide
CID 58590558
(2S)-2-[[(1R)-5-[[2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-1-carboxypentyl]carbamoylamino]pentanedioic acid
CID 165381838
(2S)-2-[[(1S)-5-[[(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-1-carboxypentyl]carbamoylamino]pentanedioic acid
CID 138911307
N-[(2R)-1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide;hydrochloride
CID 69121254
(2R)-N-[(2R)-1-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide
CID 11113984
benzyl N-[(2S)-1-[3-(hydroxymethyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 71889018
benzyl N-[(2S)-1-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 97082585
N-[(2R)-1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxamide
CID 58590731
S-[2-[[6-[4-[[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoylamino]butylamino]-6-oxohexyl]amino]-2-oxoethyl] ethanethioate
CID 89150623
(2S)-1-[(2R)-3-naphthalen-2-yl-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 10433686

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutyl)-3-[1-(3-benzylpiperidin-1-yl)-3-naphthalen-2-yl-1-oxopropan-2-yl]urea?
The IUPAC name of 1-(4-aminobutyl)-3-[1-(3-benzylpiperidin-1-yl)-3-naphthalen-2-yl-1-oxopropan-2-yl]urea (CID 143866803) is 1-(4-aminobutyl)-3-[1-(3-benzylpiperidin-1-yl)-3-naphthalen-2-yl-1-oxopropan-2-yl]urea.
What is the SMILES notation for 1-(4-aminobutyl)-3-[1-(3-benzylpiperidin-1-yl)-3-naphthalen-2-yl-1-oxopropan-2-yl]urea?
The canonical SMILES for 1-(4-aminobutyl)-3-[1-(3-benzylpiperidin-1-yl)-3-naphthalen-2-yl-1-oxopropan-2-yl]urea is NCCCCNC(=O)NC(Cc1ccc2ccccc2c1)C(=O)N1CCCC(Cc2ccccc2)C1.
What is the InChIKey of 1-(4-aminobutyl)-3-[1-(3-benzylpiperidin-1-yl)-3-naphthalen-2-yl-1-oxopropan-2-yl]urea?
The InChIKey is MBEWZCGQXGACSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O2/c31-16-6-7-17-32-30(36)33-28(21-24-14-15-26-12-4-5-13-27(26)20-24)29(35)34-18-8-11-25(22-34)19-23-9-2-1-3-10-23/h1-5,9-10,12-15,20,25,28H,6-8,11,16-19,21-22,31H2,(H2,32,33,36).
What are the key properties of 1-(4-aminobutyl)-3-[1-(3-benzylpiperidin-1-yl)-3-naphthalen-2-yl-1-oxopropan-2-yl]urea?
1-(4-aminobutyl)-3-[1-(3-benzylpiperidin-1-yl)-3-naphthalen-2-yl-1-oxopropan-2-yl]urea has a molecular weight of 486.66 g/mol, XLogP of 4.27, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutyl)-3-[1-(3-benzylpiperidin-1-yl)-3-naphthalen-2-yl-1-oxopropan-2-yl]urea is sourced from PubChem (CID 143866803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).