[(2S)-4-benzyl-2-(hydroxymethyl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone

C21H24N4O2 — CID 96578541

IUPAC[(2S)-4-benzyl-2-(hydroxymethyl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone
SMILESCc1cn2cc(C(=O)N3CCN(Cc4ccccc4)C[C@H]3CO)ccc2n1
InChIInChI=1S/C21H24N4O2/c1-16-11-24-13-18(7-8-20(24)22-16)21(27)25-10-9-23(14-19(25)15-26)12-17-5-3-2-4-6-17/h2-8,11,13,19,26H,9-10,12,14-15H2,1H3/t19-/m0/s1
InChIKeyZBHGSWLNUKLXFU-IBGZPJMESA-N
MW364.45 g/mol
LogP1.96
Rot. Bonds4

About [(2S)-4-benzyl-2-(hydroxymethyl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone

[(2S)-4-benzyl-2-(hydroxymethyl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone (PubChem CID 96578541) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is [(2S)-4-benzyl-2-(hydroxymethyl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[(2S)-4-benzyl-2-(hydroxymethyl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone
PubChem CID96578541
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name[(2S)-4-benzyl-2-(hydroxymethyl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone
SMILESCc1cn2cc(C(=O)N3CCN(Cc4ccccc4)C[C@H]3CO)ccc2n1
InChIInChI=1S/C21H24N4O2/c1-16-11-24-13-18(7-8-20(24)22-16)21(27)25-10-9-23(14-19(25)15-26)12-17-5-3-2-4-6-17/h2-8,11,13,19,26H,9-10,12,14-15H2,1H3/t19-/m0/s1
InChIKeyZBHGSWLNUKLXFU-IBGZPJMESA-N
XLogP1.96
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-benzyl-2-(hydroxymethyl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone
CID 70761813
3-[(2S)-4-benzyl-2-(hydroxymethyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one
CID 97153532
[(2R)-4-benzyl-2-(hydroxymethyl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 96575441
[(2S)-4-benzyl-2-(hydroxymethyl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 96575442
(2-methylimidazo[1,2-a]pyridin-6-yl)-(4-methylpiperidin-1-yl)methanone
CID 110704151
[(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone
CID 129363222
(4-benzyl-2-methylpiperazin-1-yl)-phenylmethanone
CID 10708948
4-(2-methylimidazo[1,2-a]pyridine-6-carbonyl)piperazine-1-carbaldehyde
CID 110704162
(2S)-4-benzyl-2-ethylpiperazine-1-carboxylic acid
CID 67131699
(1-benzylpyrazol-4-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99698614
(1,4-dibenzylpiperazin-2-yl)methanol
CID 10827800
(4,4-difluoropiperidin-1-yl)-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone
CID 70734580

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-benzyl-2-(hydroxymethyl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone?
The IUPAC name of [(2S)-4-benzyl-2-(hydroxymethyl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone (CID 96578541) is [(2S)-4-benzyl-2-(hydroxymethyl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone.
What is the SMILES notation for [(2S)-4-benzyl-2-(hydroxymethyl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone?
The canonical SMILES for [(2S)-4-benzyl-2-(hydroxymethyl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone is Cc1cn2cc(C(=O)N3CCN(Cc4ccccc4)C[C@H]3CO)ccc2n1.
What is the InChIKey of [(2S)-4-benzyl-2-(hydroxymethyl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone?
The InChIKey is ZBHGSWLNUKLXFU-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24N4O2/c1-16-11-24-13-18(7-8-20(24)22-16)21(27)25-10-9-23(14-19(25)15-26)12-17-5-3-2-4-6-17/h2-8,11,13,19,26H,9-10,12,14-15H2,1H3/t19-/m0/s1.
What are the key properties of [(2S)-4-benzyl-2-(hydroxymethyl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone?
[(2S)-4-benzyl-2-(hydroxymethyl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone has a molecular weight of 364.45 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-benzyl-2-(hydroxymethyl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone is sourced from PubChem (CID 96578541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).