N-(7-aminoheptyl)-1-[2-(4-phenylphenyl)acetyl]piperidine-2-carboxamide

C27H37N3O2 — CID 10137873

IUPACN-(7-aminoheptyl)-1-[2-(4-phenylphenyl)acetyl]piperidine-2-carboxamide
SMILESNCCCCCCCNC(=O)C1CCCCN1C(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H37N3O2/c28-18-8-2-1-3-9-19-29-27(32)25-13-7-10-20-30(25)26(31)21-22-14-16-24(17-15-22)23-11-5-4-6-12-23/h4-6,11-12,14-17,25H,1-3,7-10,13,18-21,28H2,(H,29,32)
InChIKeySMNLPRLMBUHMSF-UHFFFAOYSA-N
MW435.61 g/mol
LogP4.30
Rot. Bonds11

About N-(7-aminoheptyl)-1-[2-(4-phenylphenyl)acetyl]piperidine-2-carboxamide

N-(7-aminoheptyl)-1-[2-(4-phenylphenyl)acetyl]piperidine-2-carboxamide (PubChem CID 10137873) has the molecular formula C27H37N3O2 and a molecular weight of 435.61 g/mol. Its IUPAC name is N-(7-aminoheptyl)-1-[2-(4-phenylphenyl)acetyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(7-aminoheptyl)-1-[2-(4-phenylphenyl)acetyl]piperidine-2-carboxamide
PubChem CID10137873
Molecular FormulaC27H37N3O2
Molecular Weight435.61 g/mol
Exact Mass435.29
IUPAC NameN-(7-aminoheptyl)-1-[2-(4-phenylphenyl)acetyl]piperidine-2-carboxamide
SMILESNCCCCCCCNC(=O)C1CCCCN1C(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H37N3O2/c28-18-8-2-1-3-9-19-29-27(32)25-13-7-10-20-30(25)26(31)21-22-14-16-24(17-15-22)23-11-5-4-6-12-23/h4-6,11-12,14-17,25H,1-3,7-10,13,18-21,28H2,(H,29,32)
InChIKeySMNLPRLMBUHMSF-UHFFFAOYSA-N
XLogP4.30
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.61
LogP ≤ 54.30
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-(5-aminopentyl)-1-[2-(4-phenylphenyl)acetyl]piperidine-2-carboxamide
CID 10136100
(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
N-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide
CID 10293594
benzyl (2S)-2-(4-phenylbutylcarbamoyl)piperidine-1-carboxylate
CID 59893762
(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-(7-aminoheptyl)-1-[2-(4-phenylphenyl)acetyl]piperidine-2-carboxamide?
The IUPAC name of N-(7-aminoheptyl)-1-[2-(4-phenylphenyl)acetyl]piperidine-2-carboxamide (CID 10137873) is N-(7-aminoheptyl)-1-[2-(4-phenylphenyl)acetyl]piperidine-2-carboxamide.
What is the SMILES notation for N-(7-aminoheptyl)-1-[2-(4-phenylphenyl)acetyl]piperidine-2-carboxamide?
The canonical SMILES for N-(7-aminoheptyl)-1-[2-(4-phenylphenyl)acetyl]piperidine-2-carboxamide is NCCCCCCCNC(=O)C1CCCCN1C(=O)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(7-aminoheptyl)-1-[2-(4-phenylphenyl)acetyl]piperidine-2-carboxamide?
The InChIKey is SMNLPRLMBUHMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O2/c28-18-8-2-1-3-9-19-29-27(32)25-13-7-10-20-30(25)26(31)21-22-14-16-24(17-15-22)23-11-5-4-6-12-23/h4-6,11-12,14-17,25H,1-3,7-10,13,18-21,28H2,(H,29,32).
What are the key properties of N-(7-aminoheptyl)-1-[2-(4-phenylphenyl)acetyl]piperidine-2-carboxamide?
N-(7-aminoheptyl)-1-[2-(4-phenylphenyl)acetyl]piperidine-2-carboxamide has a molecular weight of 435.61 g/mol, XLogP of 4.30, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-aminoheptyl)-1-[2-(4-phenylphenyl)acetyl]piperidine-2-carboxamide is sourced from PubChem (CID 10137873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).