1-acetyl-N-methylpiperazine-2-carboxamide;hydrochloride

C8H16ClN3O2 — CID 171688200

IUPAC1-acetyl-N-methylpiperazine-2-carboxamide;hydrochloride
SMILESCNC(=O)C1CNCCN1C(C)=O.Cl
InChIInChI=1S/C8H15N3O2.ClH/c1-6(12)11-4-3-10-5-7(11)8(13)9-2;/h7,10H,3-5H2,1-2H3,(H,9,13);1H
InChIKeyXTDSRIJEKDNJEA-UHFFFAOYSA-N
MW221.69 g/mol
LogP-1.03
Rot. Bonds1

About 1-acetyl-N-methylpiperazine-2-carboxamide;hydrochloride

1-acetyl-N-methylpiperazine-2-carboxamide;hydrochloride (PubChem CID 171688200) has the molecular formula C8H16ClN3O2 and a molecular weight of 221.69 g/mol. Its IUPAC name is 1-acetyl-N-methylpiperazine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-acetyl-N-methylpiperazine-2-carboxamide;hydrochloride
PubChem CID171688200
Molecular FormulaC8H16ClN3O2
Molecular Weight221.69 g/mol
Exact Mass221.09
IUPAC Name1-acetyl-N-methylpiperazine-2-carboxamide;hydrochloride
SMILESCNC(=O)C1CNCCN1C(C)=O.Cl
InChIInChI=1S/C8H15N3O2.ClH/c1-6(12)11-4-3-10-5-7(11)8(13)9-2;/h7,10H,3-5H2,1-2H3,(H,9,13);1H
InChIKeyXTDSRIJEKDNJEA-UHFFFAOYSA-N
XLogP-1.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(piperidine-1-carbonyl)piperazine-2-carboxamide
CID 79155470
1-(2-prop-1-en-2-ylpiperazin-1-yl)ethanone
CID 176676947
1-(2-cyclopropylpropanoyl)-N-methylpiperazine-2-carboxamide
CID 83149686
N-methyl-1-(4-methylpiperidine-1-carbonyl)piperazine-2-carboxamide
CID 79162942
(2S)-1-acetyl-N,N-dimethylpiperazine-2-carboxamide
CID 95804037
N-methyl-1-(5-oxopyrrolidine-3-carbonyl)piperazine-2-carboxamide
CID 83193491
(2S)-1-(4-fluorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 124513939
N-methyl-1-[(2R)-oxolane-2-carbonyl]piperazine-2-carboxamide
CID 104856345
1-(3,5-dibromobenzoyl)-N-methylpiperazine-2-carboxamide
CID 107973359
(2S)-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperazine-2-carboxamide
CID 124513931
N-methyl-1-(3-phenylprop-2-enoyl)piperazine-2-carboxamide
CID 77102017
1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 54446440

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-methylpiperazine-2-carboxamide;hydrochloride?
The IUPAC name of 1-acetyl-N-methylpiperazine-2-carboxamide;hydrochloride (CID 171688200) is 1-acetyl-N-methylpiperazine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-acetyl-N-methylpiperazine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-acetyl-N-methylpiperazine-2-carboxamide;hydrochloride is CNC(=O)C1CNCCN1C(C)=O.Cl.
What is the InChIKey of 1-acetyl-N-methylpiperazine-2-carboxamide;hydrochloride?
The InChIKey is XTDSRIJEKDNJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2.ClH/c1-6(12)11-4-3-10-5-7(11)8(13)9-2;/h7,10H,3-5H2,1-2H3,(H,9,13);1H.
What are the key properties of 1-acetyl-N-methylpiperazine-2-carboxamide;hydrochloride?
1-acetyl-N-methylpiperazine-2-carboxamide;hydrochloride has a molecular weight of 221.69 g/mol, XLogP of -1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-methylpiperazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 171688200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).