(2S)-1-acetyl-N,N-dimethylpiperazine-2-carboxamide

C9H17N3O2 — CID 95804037

IUPAC(2S)-1-acetyl-N,N-dimethylpiperazine-2-carboxamide
SMILESCC(=O)N1CCNC[C@H]1C(=O)N(C)C
InChIInChI=1S/C9H17N3O2/c1-7(13)12-5-4-10-6-8(12)9(14)11(2)3/h8,10H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyPGIMCKGTGZIPSO-QMMMGPOBSA-N
MW199.25 g/mol
LogP-1.11
Rot. Bonds1

About (2S)-1-acetyl-N,N-dimethylpiperazine-2-carboxamide

(2S)-1-acetyl-N,N-dimethylpiperazine-2-carboxamide (PubChem CID 95804037) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is (2S)-1-acetyl-N,N-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N,N-dimethylpiperazine-2-carboxamide
PubChem CID95804037
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name(2S)-1-acetyl-N,N-dimethylpiperazine-2-carboxamide
SMILESCC(=O)N1CCNC[C@H]1C(=O)N(C)C
InChIInChI=1S/C9H17N3O2/c1-7(13)12-5-4-10-6-8(12)9(14)11(2)3/h8,10H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyPGIMCKGTGZIPSO-QMMMGPOBSA-N
XLogP-1.11
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-prop-1-en-2-ylpiperazin-1-yl)ethanone
CID 176676947
N,N-dimethyl-1-(3-methylpiperidine-1-carbonyl)piperazine-2-carboxamide
CID 79163292
N,N-dimethyl-1-(5-oxopyrrolidine-3-carbonyl)piperazine-2-carboxamide
CID 83191600
1-acetyl-N-methylpiperazine-2-carboxamide;hydrochloride
CID 171688200
N,N-dimethyl-1-(5-methyloxolane-3-carbonyl)piperazine-2-carboxamide
CID 114826425
N,N-dimethyl-1-(5-methylfuran-3-carbonyl)piperazine-2-carboxamide
CID 114822004
N,N-dimethyl-1-sulfamoylpiperazine-2-carboxamide
CID 114959382
1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 54446440
1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 55300442
1-N,1-N-dimethylpiperazine-1,2-dicarboxamide
CID 79154530
1-(4-hydroxy-3-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide
CID 107672122
1-(3-chloro-5-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide
CID 81315811

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N,N-dimethylpiperazine-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-N,N-dimethylpiperazine-2-carboxamide (CID 95804037) is (2S)-1-acetyl-N,N-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N,N-dimethylpiperazine-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N,N-dimethylpiperazine-2-carboxamide is CC(=O)N1CCNC[C@H]1C(=O)N(C)C.
What is the InChIKey of (2S)-1-acetyl-N,N-dimethylpiperazine-2-carboxamide?
The InChIKey is PGIMCKGTGZIPSO-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-7(13)12-5-4-10-6-8(12)9(14)11(2)3/h8,10H,4-6H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-1-acetyl-N,N-dimethylpiperazine-2-carboxamide?
(2S)-1-acetyl-N,N-dimethylpiperazine-2-carboxamide has a molecular weight of 199.25 g/mol, XLogP of -1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N,N-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 95804037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).