N-(5-aminopentyl)-1-[2-(4-phenylphenyl)acetyl]piperidine-2-carboxamide

C25H33N3O2 — CID 10136100

IUPACN-(5-aminopentyl)-1-[2-(4-phenylphenyl)acetyl]piperidine-2-carboxamide
SMILESNCCCCCNC(=O)C1CCCCN1C(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H33N3O2/c26-16-6-2-7-17-27-25(30)23-11-5-8-18-28(23)24(29)19-20-12-14-22(15-13-20)21-9-3-1-4-10-21/h1,3-4,9-10,12-15,23H,2,5-8,11,16-19,26H2,(H,27,30)
InChIKeyZCYKJUAQWJRCBD-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.52
Rot. Bonds9

About N-(5-aminopentyl)-1-[2-(4-phenylphenyl)acetyl]piperidine-2-carboxamide

N-(5-aminopentyl)-1-[2-(4-phenylphenyl)acetyl]piperidine-2-carboxamide (PubChem CID 10136100) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-(5-aminopentyl)-1-[2-(4-phenylphenyl)acetyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-1-[2-(4-phenylphenyl)acetyl]piperidine-2-carboxamide
PubChem CID10136100
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-(5-aminopentyl)-1-[2-(4-phenylphenyl)acetyl]piperidine-2-carboxamide
SMILESNCCCCCNC(=O)C1CCCCN1C(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H33N3O2/c26-16-6-2-7-17-27-25(30)23-11-5-8-18-28(23)24(29)19-20-12-14-22(15-13-20)21-9-3-1-4-10-21/h1,3-4,9-10,12-15,23H,2,5-8,11,16-19,26H2,(H,27,30)
InChIKeyZCYKJUAQWJRCBD-UHFFFAOYSA-N
XLogP3.52
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(7-aminoheptyl)-1-[2-(4-phenylphenyl)acetyl]piperidine-2-carboxamide
CID 10137873
(2R)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide
CID 69288781
N-(6-aminohexyl)-1-tridecanoylpiperidine-2-carboxamide
CID 23503497
ethyl 3-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]propanoate
CID 10496803
1-[2-(4-chlorophenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 75554503
4-[[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 119353518
benzyl (2S)-2-(4-phenylbutylcarbamoyl)piperidine-1-carboxylate
CID 59893762
N-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide
CID 10293594
(2R)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2S)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2R)-1-octanoylpiperidine-2-carboxylic acid;pentane-1,5-diamine
CID 172840576
N-(2-morpholin-4-ylethyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47717787
(2S)-N-(3-aminopropyl)-1-undecanoylpiperidine-2-carboxamide
CID 69288111
N-[(3,4-dihydroxyphenyl)methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 136521380

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-1-[2-(4-phenylphenyl)acetyl]piperidine-2-carboxamide?
The IUPAC name of N-(5-aminopentyl)-1-[2-(4-phenylphenyl)acetyl]piperidine-2-carboxamide (CID 10136100) is N-(5-aminopentyl)-1-[2-(4-phenylphenyl)acetyl]piperidine-2-carboxamide.
What is the SMILES notation for N-(5-aminopentyl)-1-[2-(4-phenylphenyl)acetyl]piperidine-2-carboxamide?
The canonical SMILES for N-(5-aminopentyl)-1-[2-(4-phenylphenyl)acetyl]piperidine-2-carboxamide is NCCCCCNC(=O)C1CCCCN1C(=O)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(5-aminopentyl)-1-[2-(4-phenylphenyl)acetyl]piperidine-2-carboxamide?
The InChIKey is ZCYKJUAQWJRCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c26-16-6-2-7-17-27-25(30)23-11-5-8-18-28(23)24(29)19-20-12-14-22(15-13-20)21-9-3-1-4-10-21/h1,3-4,9-10,12-15,23H,2,5-8,11,16-19,26H2,(H,27,30).
What are the key properties of N-(5-aminopentyl)-1-[2-(4-phenylphenyl)acetyl]piperidine-2-carboxamide?
N-(5-aminopentyl)-1-[2-(4-phenylphenyl)acetyl]piperidine-2-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 3.52, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-1-[2-(4-phenylphenyl)acetyl]piperidine-2-carboxamide is sourced from PubChem (CID 10136100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).