(3S)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-pyridinyl)piperazine-1-carboxamide

C17H24N6O — CID 129339331

IUPAC(3S)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-pyridinyl)piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)Nc2cnccc2C)C[C@H]1c1nccn1C
InChIInChI=1S/C17H24N6O/c1-4-22-9-10-23(12-15(22)16-19-7-8-21(16)3)17(24)20-14-11-18-6-5-13(14)2/h5-8,11,15H,4,9-10,12H2,1-3H3,(H,20,24)/t15-/m0/s1
InChIKeyVVOAKMOWINBLMZ-HNNXBMFYSA-N
MW328.42 g/mol
LogP2.03
Rot. Bonds3

About (3S)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-pyridinyl)piperazine-1-carboxamide

(3S)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-pyridinyl)piperazine-1-carboxamide (PubChem CID 129339331) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is (3S)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name(3S)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-pyridinyl)piperazine-1-carboxamide
PubChem CID129339331
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name(3S)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-pyridinyl)piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)Nc2cnccc2C)C[C@H]1c1nccn1C
InChIInChI=1S/C17H24N6O/c1-4-22-9-10-23(12-15(22)16-19-7-8-21(16)3)17(24)20-14-11-18-6-5-13(14)2/h5-8,11,15H,4,9-10,12H2,1-3H3,(H,20,24)/t15-/m0/s1
InChIKeyVVOAKMOWINBLMZ-HNNXBMFYSA-N
XLogP2.03
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-(5-fluoro-2-pyridinyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
CID 128968436
4-ethyl-3-(1-methylimidazol-2-yl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 129006019
(3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 129335168
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-ethyl-4-pyridinyl)methanone
CID 129340403
4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 128995946
1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one
CID 128991431
1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 129000463
(3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-pyridin-3-ylpiperazine-1-carboxamide
CID 129472974
[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 129341691
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 129001271
(3S)-4-ethyl-N-(furan-3-ylmethyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
CID 129331566
(3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
CID 129331274

Frequently Asked Questions

What is the IUPAC name of (3S)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of (3S)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-pyridinyl)piperazine-1-carboxamide (CID 129339331) is (3S)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for (3S)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for (3S)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-pyridinyl)piperazine-1-carboxamide is CCN1CCN(C(=O)Nc2cnccc2C)C[C@H]1c1nccn1C.
What is the InChIKey of (3S)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-pyridinyl)piperazine-1-carboxamide?
The InChIKey is VVOAKMOWINBLMZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-4-22-9-10-23(12-15(22)16-19-7-8-21(16)3)17(24)20-14-11-18-6-5-13(14)2/h5-8,11,15H,4,9-10,12H2,1-3H3,(H,20,24)/t15-/m0/s1.
What are the key properties of (3S)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-pyridinyl)piperazine-1-carboxamide?
(3S)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-pyridinyl)piperazine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 129339331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).