1-(2-amino-2-phenylacetyl)-N-methylpiperidine-3-carboxamide;hydrochloride

C15H22ClN3O2 — CID 119323511

IUPAC1-(2-amino-2-phenylacetyl)-N-methylpiperidine-3-carboxamide;hydrochloride
SMILESCNC(=O)C1CCCN(C(=O)C(N)c2ccccc2)C1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-17-14(19)12-8-5-9-18(10-12)15(20)13(16)11-6-3-2-4-7-11;/h2-4,6-7,12-13H,5,8-10,16H2,1H3,(H,17,19);1H
InChIKeyZZKVBDSWGDQSHE-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.09
Rot. Bonds3

About 1-(2-amino-2-phenylacetyl)-N-methylpiperidine-3-carboxamide;hydrochloride

1-(2-amino-2-phenylacetyl)-N-methylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119323511) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 1-(2-amino-2-phenylacetyl)-N-methylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2-amino-2-phenylacetyl)-N-methylpiperidine-3-carboxamide;hydrochloride
PubChem CID119323511
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name1-(2-amino-2-phenylacetyl)-N-methylpiperidine-3-carboxamide;hydrochloride
SMILESCNC(=O)C1CCCN(C(=O)C(N)c2ccccc2)C1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-17-14(19)12-8-5-9-18(10-12)15(20)13(16)11-6-3-2-4-7-11;/h2-4,6-7,12-13H,5,8-10,16H2,1H3,(H,17,19);1H
InChIKeyZZKVBDSWGDQSHE-UHFFFAOYSA-N
XLogP1.09
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(2-amino-2-phenylacetyl)piperidine-3-carboxylate
CID 76892741
2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119277072
2-amino-2-phenyl-1-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 119858252
(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone
CID 28801220
1-[(2R)-2-aminopropanoyl]-N-methylpiperidine-3-carboxamide
CID 103796761
2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24693981
1-(2-amino-2-phenylacetyl)-N-methylpyrrolidine-2-carboxamide
CID 60953274
2-amino-1-(3-ethylpiperidin-1-yl)-2-phenylethanone
CID 43584547
N-[[1-(2-amino-2-phenylacetyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119288841
(2R)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 103796537
2-amino-2-phenyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119892520
2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-phenylethanone
CID 119337376

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-phenylacetyl)-N-methylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(2-amino-2-phenylacetyl)-N-methylpiperidine-3-carboxamide;hydrochloride (CID 119323511) is 1-(2-amino-2-phenylacetyl)-N-methylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2-amino-2-phenylacetyl)-N-methylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(2-amino-2-phenylacetyl)-N-methylpiperidine-3-carboxamide;hydrochloride is CNC(=O)C1CCCN(C(=O)C(N)c2ccccc2)C1.Cl.
What is the InChIKey of 1-(2-amino-2-phenylacetyl)-N-methylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is ZZKVBDSWGDQSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c1-17-14(19)12-8-5-9-18(10-12)15(20)13(16)11-6-3-2-4-7-11;/h2-4,6-7,12-13H,5,8-10,16H2,1H3,(H,17,19);1H.
What are the key properties of 1-(2-amino-2-phenylacetyl)-N-methylpiperidine-3-carboxamide;hydrochloride?
1-(2-amino-2-phenylacetyl)-N-methylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-phenylacetyl)-N-methylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119323511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).