N-[(2R)-1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-benzylpiperidine-3-carboxamide

C29H36N4O2 — CID 58590778

IUPACN-[(2R)-1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-benzylpiperidine-3-carboxamide
SMILESNCCCNC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C29H36N4O2/c30-15-7-16-31-29(35)27(19-23-13-14-24-10-4-5-11-25(24)18-23)32-28(34)26-12-6-17-33(21-26)20-22-8-2-1-3-9-22/h1-5,8-11,13-14,18,26-27H,6-7,12,15-17,19-21,30H2,(H,31,35)(H,32,34)/t26?,27-/m1/s1
InChIKeyNFABERJIKLCXRC-SSYAZFEXSA-N
MW472.63 g/mol
LogP3.24
Rot. Bonds10

About N-[(2R)-1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-benzylpiperidine-3-carboxamide

N-[(2R)-1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-benzylpiperidine-3-carboxamide (PubChem CID 58590778) has the molecular formula C29H36N4O2 and a molecular weight of 472.63 g/mol. Its IUPAC name is N-[(2R)-1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-benzylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-benzylpiperidine-3-carboxamide
PubChem CID58590778
Molecular FormulaC29H36N4O2
Molecular Weight472.63 g/mol
Exact Mass472.28
IUPAC NameN-[(2R)-1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-benzylpiperidine-3-carboxamide
SMILESNCCCNC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C29H36N4O2/c30-15-7-16-31-29(35)27(19-23-13-14-24-10-4-5-11-25(24)18-23)32-28(34)26-12-6-17-33(21-26)20-22-8-2-1-3-9-22/h1-5,8-11,13-14,18,26-27H,6-7,12,15-17,19-21,30H2,(H,31,35)(H,32,34)/t26?,27-/m1/s1
InChIKeyNFABERJIKLCXRC-SSYAZFEXSA-N
XLogP3.24
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.63
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide;hydrochloride
CID 69121254
(2R)-2-[(1-benzylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119367101
N-[(2R)-1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxamide
CID 58590731
N-[(2R)-1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2-ethoxy-2-methylpropanoyl)pyrrolidine-2-carboxamide;hydrochloride
CID 69121369
N-[(2R)-1-(5-aminopentylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2-ethylbutanoyl)pyrrolidine-2-carboxamide
CID 58590558
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
N-(2-aminoethyl)-1-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 119916886
N-[(2S)-1-aminopropan-2-yl]-1-benzylpiperidine-3-carboxamide;dihydrochloride
CID 120507626
(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
(2R)-N-[(2S)-1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-(hydroxymethyl)-3-naphthalen-2-ylpropanamide
CID 59081934
1-(4-aminobutyl)-3-[1-(3-benzylpiperidin-1-yl)-3-naphthalen-2-yl-1-oxopropan-2-yl]urea
CID 143866803

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-benzylpiperidine-3-carboxamide?
The IUPAC name of N-[(2R)-1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-benzylpiperidine-3-carboxamide (CID 58590778) is N-[(2R)-1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-benzylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-benzylpiperidine-3-carboxamide?
The canonical SMILES for N-[(2R)-1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-benzylpiperidine-3-carboxamide is NCCCNC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-[(2R)-1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-benzylpiperidine-3-carboxamide?
The InChIKey is NFABERJIKLCXRC-SSYAZFEXSA-N. The full InChI is InChI=1S/C29H36N4O2/c30-15-7-16-31-29(35)27(19-23-13-14-24-10-4-5-11-25(24)18-23)32-28(34)26-12-6-17-33(21-26)20-22-8-2-1-3-9-22/h1-5,8-11,13-14,18,26-27H,6-7,12,15-17,19-21,30H2,(H,31,35)(H,32,34)/t26?,27-/m1/s1.
What are the key properties of N-[(2R)-1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-benzylpiperidine-3-carboxamide?
N-[(2R)-1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-benzylpiperidine-3-carboxamide has a molecular weight of 472.63 g/mol, XLogP of 3.24, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-benzylpiperidine-3-carboxamide is sourced from PubChem (CID 58590778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).