(2S)-1-acetyl-N,N-dimethyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide

C16H22N4O3 — CID 124967207

IUPAC(2S)-1-acetyl-N,N-dimethyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2ccc(C)nc2)C[C@H]1C(=O)N(C)C
InChIInChI=1S/C16H22N4O3/c1-11-5-6-13(9-17-11)15(22)19-7-8-20(12(2)21)14(10-19)16(23)18(3)4/h5-6,9,14H,7-8,10H2,1-4H3/t14-/m0/s1
InChIKeyIREPZWKJMZMZAH-AWEZNQCLSA-N
MW318.38 g/mol
LogP0.15
Rot. Bonds2

About (2S)-1-acetyl-N,N-dimethyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide

(2S)-1-acetyl-N,N-dimethyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide (PubChem CID 124967207) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is (2S)-1-acetyl-N,N-dimethyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N,N-dimethyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide
PubChem CID124967207
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name(2S)-1-acetyl-N,N-dimethyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2ccc(C)nc2)C[C@H]1C(=O)N(C)C
InChIInChI=1S/C16H22N4O3/c1-11-5-6-13(9-17-11)15(22)19-7-8-20(12(2)21)14(10-19)16(23)18(3)4/h5-6,9,14H,7-8,10H2,1-4H3/t14-/m0/s1
InChIKeyIREPZWKJMZMZAH-AWEZNQCLSA-N
XLogP0.15
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-acetyl-N,N-dimethyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide
CID 124981335
(6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 144534976
(2R)-4-(6-methylpyridine-3-carbonyl)-1-propan-2-ylpiperazine-2-carboxamide
CID 125008665
(2R)-1-acetyl-N,N-dimethyl-4-(2-methyl-1,3-oxazole-4-carbonyl)piperazine-2-carboxamide
CID 124949487
(2R)-1-acetyl-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylpiperazine-2-carboxamide
CID 125024247
[3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride
CID 119413830
(3-aminoazetidin-1-yl)-(6-methyl-3-pyridinyl)methanone
CID 63753826
[(3S)-4-methyl-3-phenylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 124989714
1-[2-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 134689506
(6-methyl-3-pyridinyl)-piperazin-1-ylmethanone
CID 16787061
1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 16790190
[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 39991441

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N,N-dimethyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-N,N-dimethyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide (CID 124967207) is (2S)-1-acetyl-N,N-dimethyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N,N-dimethyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N,N-dimethyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide is CC(=O)N1CCN(C(=O)c2ccc(C)nc2)C[C@H]1C(=O)N(C)C.
What is the InChIKey of (2S)-1-acetyl-N,N-dimethyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide?
The InChIKey is IREPZWKJMZMZAH-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-11-5-6-13(9-17-11)15(22)19-7-8-20(12(2)21)14(10-19)16(23)18(3)4/h5-6,9,14H,7-8,10H2,1-4H3/t14-/m0/s1.
What are the key properties of (2S)-1-acetyl-N,N-dimethyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide?
(2S)-1-acetyl-N,N-dimethyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N,N-dimethyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 124967207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).