N-(5-aminopentyl)-1-(3-phenylpropanoyl)piperidine-3-carboxamide

C20H31N3O2 — CID 154967018

IUPACN-(5-aminopentyl)-1-(3-phenylpropanoyl)piperidine-3-carboxamide
SMILESNCCCCCNC(=O)C1CCCN(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C20H31N3O2/c21-13-5-2-6-14-22-20(25)18-10-7-15-23(16-18)19(24)12-11-17-8-3-1-4-9-17/h1,3-4,8-9,18H,2,5-7,10-16,21H2,(H,22,25)
InChIKeyDAKBUCXETLMERC-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.10
Rot. Bonds9

About N-(5-aminopentyl)-1-(3-phenylpropanoyl)piperidine-3-carboxamide

N-(5-aminopentyl)-1-(3-phenylpropanoyl)piperidine-3-carboxamide (PubChem CID 154967018) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-(5-aminopentyl)-1-(3-phenylpropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-1-(3-phenylpropanoyl)piperidine-3-carboxamide
PubChem CID154967018
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-(5-aminopentyl)-1-(3-phenylpropanoyl)piperidine-3-carboxamide
SMILESNCCCCCNC(=O)C1CCCN(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C20H31N3O2/c21-13-5-2-6-14-22-20(25)18-10-7-15-23(16-18)19(24)12-11-17-8-3-1-4-9-17/h1,3-4,8-9,18H,2,5-7,10-16,21H2,(H,22,25)
InChIKeyDAKBUCXETLMERC-UHFFFAOYSA-N
XLogP2.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.10
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-(2-aminoethyl)-1-[3-(4-fluorophenyl)propanoyl]piperidine-3-carboxamide
CID 119479232
N-(2-aminoethyl)-1-[3-(4-chlorophenyl)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479751
N-(2-aminoethyl)-1-[3-(4-fluorophenyl)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479231
(3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide
CID 154967020
(3S)-1-(3-phenylpropanoyl)-N-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]piperidine-3-carboxamide
CID 102220745
(3S)-1-(2-naphthalen-1-ylacetyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 94082667
N-(3-aminopropyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride
CID 119407805
N-(2-aminoethyl)-1-[2-(4-benzylpiperazin-1-yl)acetyl]piperidine-3-carboxamide
CID 119479808
(3S)-1-(2-chlorobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 94082332
N-(3-aminopropyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56876392
N-(2-aminoethyl)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide
CID 119482155
N-(2-aminoethyl)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidine-3-carboxamide
CID 119480187

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-1-(3-phenylpropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-(5-aminopentyl)-1-(3-phenylpropanoyl)piperidine-3-carboxamide (CID 154967018) is N-(5-aminopentyl)-1-(3-phenylpropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(5-aminopentyl)-1-(3-phenylpropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(5-aminopentyl)-1-(3-phenylpropanoyl)piperidine-3-carboxamide is NCCCCCNC(=O)C1CCCN(C(=O)CCc2ccccc2)C1.
What is the InChIKey of N-(5-aminopentyl)-1-(3-phenylpropanoyl)piperidine-3-carboxamide?
The InChIKey is DAKBUCXETLMERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c21-13-5-2-6-14-22-20(25)18-10-7-15-23(16-18)19(24)12-11-17-8-3-1-4-9-17/h1,3-4,8-9,18H,2,5-7,10-16,21H2,(H,22,25).
What are the key properties of N-(5-aminopentyl)-1-(3-phenylpropanoyl)piperidine-3-carboxamide?
N-(5-aminopentyl)-1-(3-phenylpropanoyl)piperidine-3-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.10, 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-(3-phenylpropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 154967018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).