1-(3-amino-2-methyl-3-phenylpropanoyl)piperidine-2-carboxamide;hydrochloride

C16H24ClN3O2 — CID 119685223

IUPAC1-(3-amino-2-methyl-3-phenylpropanoyl)piperidine-2-carboxamide;hydrochloride
SMILESCC(C(=O)N1CCCCC1C(N)=O)C(N)c1ccccc1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-11(14(17)12-7-3-2-4-8-12)16(21)19-10-6-5-9-13(19)15(18)20;/h2-4,7-8,11,13-14H,5-6,9-10,17H2,1H3,(H2,18,20);1H
InChIKeyOAIZZUNQSZQJKH-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.61
Rot. Bonds4

About 1-(3-amino-2-methyl-3-phenylpropanoyl)piperidine-2-carboxamide;hydrochloride

1-(3-amino-2-methyl-3-phenylpropanoyl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119685223) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 1-(3-amino-2-methyl-3-phenylpropanoyl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-amino-2-methyl-3-phenylpropanoyl)piperidine-2-carboxamide;hydrochloride
PubChem CID119685223
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name1-(3-amino-2-methyl-3-phenylpropanoyl)piperidine-2-carboxamide;hydrochloride
SMILESCC(C(=O)N1CCCCC1C(N)=O)C(N)c1ccccc1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-11(14(17)12-7-3-2-4-8-12)16(21)19-10-6-5-9-13(19)15(18)20;/h2-4,7-8,11,13-14H,5-6,9-10,17H2,1H3,(H2,18,20);1H
InChIKeyOAIZZUNQSZQJKH-UHFFFAOYSA-N
XLogP1.61
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-amino-2-methyl-3-phenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 80552235
(3R,6R)-1-[(2S,3S)-3-amino-2-methyl-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide
CID 124598327
(3R,6S)-1-[(2S,3S)-3-amino-2-methyl-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide
CID 124598329
1-(3-amino-2-phenyl-3-sulfanylidenepropanoyl)piperidine-2-carboxamide
CID 62877915
3-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 107217984
2-[1-(3-amino-2-methyl-3-phenylpropanoyl)pyrrolidin-2-yl]acetic acid
CID 80549892
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl)-3-amino-2-methyl-3-phenylpropan-1-one;hydrochloride
CID 119807391
(2S,3S)-3-amino-1-(azocan-1-yl)-2-methyl-3-phenylpropan-1-one
CID 99627539
1-(2-methylpropanoyl)piperidine-2-carboxamide
CID 60717227
3-amino-2-methyl-3-phenyl-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one
CID 119888376
1-(3-amino-2-methyl-3-phenylpropanoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 80546825
3-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 80551170

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methyl-3-phenylpropanoyl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-(3-amino-2-methyl-3-phenylpropanoyl)piperidine-2-carboxamide;hydrochloride (CID 119685223) is 1-(3-amino-2-methyl-3-phenylpropanoyl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-amino-2-methyl-3-phenylpropanoyl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-amino-2-methyl-3-phenylpropanoyl)piperidine-2-carboxamide;hydrochloride is CC(C(=O)N1CCCCC1C(N)=O)C(N)c1ccccc1.Cl.
What is the InChIKey of 1-(3-amino-2-methyl-3-phenylpropanoyl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is OAIZZUNQSZQJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-11(14(17)12-7-3-2-4-8-12)16(21)19-10-6-5-9-13(19)15(18)20;/h2-4,7-8,11,13-14H,5-6,9-10,17H2,1H3,(H2,18,20);1H.
What are the key properties of 1-(3-amino-2-methyl-3-phenylpropanoyl)piperidine-2-carboxamide;hydrochloride?
1-(3-amino-2-methyl-3-phenylpropanoyl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methyl-3-phenylpropanoyl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119685223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).