N-(2-aminoethyl)-1-(1-phenylethyl)piperidine-3-carboxamide;hydrochloride

C16H26ClN3O — CID 119916721

IUPACN-(2-aminoethyl)-1-(1-phenylethyl)piperidine-3-carboxamide;hydrochloride
SMILESCC(c1ccccc1)N1CCCC(C(=O)NCCN)C1.Cl
InChIInChI=1S/C16H25N3O.ClH/c1-13(14-6-3-2-4-7-14)19-11-5-8-15(12-19)16(20)18-10-9-17;/h2-4,6-7,13,15H,5,8-12,17H2,1H3,(H,18,20);1H
InChIKeyOCIFGSBKYUIJFW-UHFFFAOYSA-N
MW311.86 g/mol
LogP1.96
Rot. Bonds5

About N-(2-aminoethyl)-1-(1-phenylethyl)piperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-(1-phenylethyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119916721) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(1-phenylethyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(1-phenylethyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119916721
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC NameN-(2-aminoethyl)-1-(1-phenylethyl)piperidine-3-carboxamide;hydrochloride
SMILESCC(c1ccccc1)N1CCCC(C(=O)NCCN)C1.Cl
InChIInChI=1S/C16H25N3O.ClH/c1-13(14-6-3-2-4-7-14)19-11-5-8-15(12-19)16(20)18-10-9-17;/h2-4,6-7,13,15H,5,8-12,17H2,1H3,(H,18,20);1H
InChIKeyOCIFGSBKYUIJFW-UHFFFAOYSA-N
XLogP1.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-1-[1-(2-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119916645
N-(2-aminoethyl)-1-[2-(dimethylamino)-2-phenylacetyl]piperidine-3-carboxamide;dihydrochloride
CID 119480715
N-(2-aminoethyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119381978
N-(2-aminoethyl)-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide
CID 63754604
N-(2-phenylethyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 59279121
1-(2-amino-2-oxo-1-phenylethyl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 56815640
1-benzhydryl-N-octylpiperidine-3-carboxamide
CID 58022649
N-(2-aminoethyl)-1-[2-(azepan-1-yl)propanoyl]piperidine-3-carboxamide;dihydrochloride
CID 119479980
N-(2-aminoethyl)-1-(2-phenyl-2-thiomorpholin-4-ylacetyl)piperidine-3-carboxamide
CID 119481514
N-(2-aminoethyl)-1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119917040
N-(2-aminoethyl)-1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119916714
N-(2-aminoethyl)-1-[2-[benzyl(methyl)amino]-2-oxoethyl]piperidine-3-carboxamide;hydrochloride
CID 119916928

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(1-phenylethyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-(1-phenylethyl)piperidine-3-carboxamide;hydrochloride (CID 119916721) is N-(2-aminoethyl)-1-(1-phenylethyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-(1-phenylethyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-(1-phenylethyl)piperidine-3-carboxamide;hydrochloride is CC(c1ccccc1)N1CCCC(C(=O)NCCN)C1.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-(1-phenylethyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is OCIFGSBKYUIJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.ClH/c1-13(14-6-3-2-4-7-14)19-11-5-8-15(12-19)16(20)18-10-9-17;/h2-4,6-7,13,15H,5,8-12,17H2,1H3,(H,18,20);1H.
What are the key properties of N-(2-aminoethyl)-1-(1-phenylethyl)piperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-(1-phenylethyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 311.86 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(1-phenylethyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119916721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).