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

C16H22N6O — CID 129477791

IUPAC(3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-(2-methyl-4-pyridinyl)piperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCN(C)[C@H](c3nccn3C)C2)ccn1
InChIInChI=1S/C16H22N6O/c1-12-10-13(4-5-17-12)19-16(23)22-9-8-20(2)14(11-22)15-18-6-7-21(15)3/h4-7,10,14H,8-9,11H2,1-3H3,(H,17,19,23)/t14-/m0/s1
InChIKeyYFZUUSSHCFLZLN-AWEZNQCLSA-N
MW314.39 g/mol
LogP1.64
Rot. Bonds2

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

(3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-(2-methyl-4-pyridinyl)piperazine-1-carboxamide (PubChem CID 129477791) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is (3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-(2-methyl-4-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name(3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-(2-methyl-4-pyridinyl)piperazine-1-carboxamide
PubChem CID129477791
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name(3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-(2-methyl-4-pyridinyl)piperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCN(C)[C@H](c3nccn3C)C2)ccn1
InChIInChI=1S/C16H22N6O/c1-12-10-13(4-5-17-12)19-16(23)22-9-8-20(2)14(11-22)15-18-6-7-21(15)3/h4-7,10,14H,8-9,11H2,1-3H3,(H,17,19,23)/t14-/m0/s1
InChIKeyYFZUUSSHCFLZLN-AWEZNQCLSA-N
XLogP1.64
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-pyridin-3-ylpiperazine-1-carboxamide
CID 129472974
(3R)-N-benzyl-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
CID 129478300
(2,6-dimethylpyrimidin-4-yl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129001283
[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 128992746
(3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]piperazine-1-carboxamide
CID 129353487
[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 129478430
[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone
CID 129340377
(2,5-dimethylfuran-3-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129478549
4-methyl-3-(1-methylimidazol-2-yl)-N-(thiophen-3-ylmethyl)piperazine-1-carboxamide
CID 128997791
(3S)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-pyridinyl)piperazine-1-carboxamide
CID 129339331
(2S)-2-methyl-1-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-methylsulfanylpropan-1-one
CID 129478886
1-[(2-methyl-4-pyridinyl)carbamoyl]piperidine-3-carboxylic acid
CID 122088415

Frequently Asked Questions

What is the IUPAC name of (3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-(2-methyl-4-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of (3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-(2-methyl-4-pyridinyl)piperazine-1-carboxamide (CID 129477791) is (3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-(2-methyl-4-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for (3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-(2-methyl-4-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for (3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-(2-methyl-4-pyridinyl)piperazine-1-carboxamide is Cc1cc(NC(=O)N2CCN(C)[C@H](c3nccn3C)C2)ccn1.
What is the InChIKey of (3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-(2-methyl-4-pyridinyl)piperazine-1-carboxamide?
The InChIKey is YFZUUSSHCFLZLN-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N6O/c1-12-10-13(4-5-17-12)19-16(23)22-9-8-20(2)14(11-22)15-18-6-7-21(15)3/h4-7,10,14H,8-9,11H2,1-3H3,(H,17,19,23)/t14-/m0/s1.
What are the key properties of (3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-(2-methyl-4-pyridinyl)piperazine-1-carboxamide?
(3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-(2-methyl-4-pyridinyl)piperazine-1-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-(2-methyl-4-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 129477791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).