4-[(2R)-2-aminopropanoyl]-N-benzyl-N-methylpiperazine-1-carboxamide;hydrochloride

C16H25ClN4O2 — CID 119296596

IUPAC4-[(2R)-2-aminopropanoyl]-N-benzyl-N-methylpiperazine-1-carboxamide;hydrochloride
SMILESC[C@@H](N)C(=O)N1CCN(C(=O)N(C)Cc2ccccc2)CC1.Cl
InChIInChI=1S/C16H24N4O2.ClH/c1-13(17)15(21)19-8-10-20(11-9-19)16(22)18(2)12-14-6-4-3-5-7-14;/h3-7,13H,8-12,17H2,1-2H3;1H/t13-;/m1./s1
InChIKeyPTASNGKNXXRYHG-BTQNPOSSSA-N
MW340.86 g/mol
LogP1.15
Rot. Bonds3

About 4-[(2R)-2-aminopropanoyl]-N-benzyl-N-methylpiperazine-1-carboxamide;hydrochloride

4-[(2R)-2-aminopropanoyl]-N-benzyl-N-methylpiperazine-1-carboxamide;hydrochloride (PubChem CID 119296596) has the molecular formula C16H25ClN4O2 and a molecular weight of 340.86 g/mol. Its IUPAC name is 4-[(2R)-2-aminopropanoyl]-N-benzyl-N-methylpiperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[(2R)-2-aminopropanoyl]-N-benzyl-N-methylpiperazine-1-carboxamide;hydrochloride
PubChem CID119296596
Molecular FormulaC16H25ClN4O2
Molecular Weight340.86 g/mol
Exact Mass340.17
IUPAC Name4-[(2R)-2-aminopropanoyl]-N-benzyl-N-methylpiperazine-1-carboxamide;hydrochloride
SMILESC[C@@H](N)C(=O)N1CCN(C(=O)N(C)Cc2ccccc2)CC1.Cl
InChIInChI=1S/C16H24N4O2.ClH/c1-13(17)15(21)19-8-10-20(11-9-19)16(22)18(2)12-14-6-4-3-5-7-14;/h3-7,13H,8-12,17H2,1-2H3;1H/t13-;/m1./s1
InChIKeyPTASNGKNXXRYHG-BTQNPOSSSA-N
XLogP1.15
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119838010
(2R)-2-amino-1-(4-benzyl-1,4-diazepan-1-yl)propan-1-one;dihydrochloride
CID 119399410
2-amino-1-[(3S)-3-[benzyl(propan-2-yl)amino]pyrrolidin-1-yl]propan-1-one
CID 121226156
4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-benzyl-N-methylpiperazine-1-carboxamide;hydrochloride
CID 120788633
4-(4-aminopiperidine-1-carbonyl)-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride
CID 119376921
2-amino-1-(4-benzylsulfonylpiperazin-1-yl)propan-1-one
CID 119270045
2-amino-1-[4-[[benzyl(cyclopropyl)amino]methyl]piperidin-1-yl]propan-1-one
CID 77144164
(2R)-2-amino-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119276186
1-[(2R)-2-aminopropanoyl]-N-[2-[benzyl(methyl)amino]ethyl]piperidine-4-carboxamide
CID 119894122
2-amino-1-[3-[benzyl(cyclopropyl)amino]pyrrolidin-1-yl]propan-1-one
CID 77144157
N-benzyl-N-methyl-4-(3-methylphenyl)piperazine-1-carboxamide
CID 108988839

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-aminopropanoyl]-N-benzyl-N-methylpiperazine-1-carboxamide;hydrochloride?
The IUPAC name of 4-[(2R)-2-aminopropanoyl]-N-benzyl-N-methylpiperazine-1-carboxamide;hydrochloride (CID 119296596) is 4-[(2R)-2-aminopropanoyl]-N-benzyl-N-methylpiperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-[(2R)-2-aminopropanoyl]-N-benzyl-N-methylpiperazine-1-carboxamide;hydrochloride?
The canonical SMILES for 4-[(2R)-2-aminopropanoyl]-N-benzyl-N-methylpiperazine-1-carboxamide;hydrochloride is C[C@@H](N)C(=O)N1CCN(C(=O)N(C)Cc2ccccc2)CC1.Cl.
What is the InChIKey of 4-[(2R)-2-aminopropanoyl]-N-benzyl-N-methylpiperazine-1-carboxamide;hydrochloride?
The InChIKey is PTASNGKNXXRYHG-BTQNPOSSSA-N. The full InChI is InChI=1S/C16H24N4O2.ClH/c1-13(17)15(21)19-8-10-20(11-9-19)16(22)18(2)12-14-6-4-3-5-7-14;/h3-7,13H,8-12,17H2,1-2H3;1H/t13-;/m1./s1.
What are the key properties of 4-[(2R)-2-aminopropanoyl]-N-benzyl-N-methylpiperazine-1-carboxamide;hydrochloride?
4-[(2R)-2-aminopropanoyl]-N-benzyl-N-methylpiperazine-1-carboxamide;hydrochloride has a molecular weight of 340.86 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-aminopropanoyl]-N-benzyl-N-methylpiperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 119296596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).