1-[4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-2-phenoxyethanone

C21H22N4O3 — CID 28685413

IUPAC1-[4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-2-phenoxyethanone
SMILESCc1ccn2cc(C(=O)N3CCN(C(=O)COc4ccccc4)CC3)nc2c1
InChIInChI=1S/C21H22N4O3/c1-16-7-8-25-14-18(22-19(25)13-16)21(27)24-11-9-23(10-12-24)20(26)15-28-17-5-3-2-4-6-17/h2-8,13-14H,9-12,15H2,1H3
InChIKeyZPYUWXKYNVALHZ-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.01
Rot. Bonds4

About 1-[4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-2-phenoxyethanone

1-[4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-2-phenoxyethanone (PubChem CID 28685413) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-[4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-2-phenoxyethanone
PubChem CID28685413
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name1-[4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-2-phenoxyethanone
SMILESCc1ccn2cc(C(=O)N3CCN(C(=O)COc4ccccc4)CC3)nc2c1
InChIInChI=1S/C21H22N4O3/c1-16-7-8-25-14-18(22-19(25)13-16)21(27)24-11-9-23(10-12-24)20(26)15-28-17-5-3-2-4-6-17/h2-8,13-14H,9-12,15H2,1H3
InChIKeyZPYUWXKYNVALHZ-UHFFFAOYSA-N
XLogP2.01
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
1-[4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 110645731
N-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-phenoxyacetamide
CID 7150752
2-(3-methylphenoxy)-1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110809812
(7-methylimidazo[1,2-a]pyridin-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 26781814
4-[4-[2-(3-methylphenoxy)acetyl]piperazine-1-carbonyl]benzoic acid
CID 2050329
1-[4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-phenoxyethanone
CID 110328710
3-[4-[2-(3-methylphenoxy)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110804402
2-[4-[2-(4-methylphenoxy)acetyl]piperazine-1-carbonyl]benzoic acid
CID 2050356
ethyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
CID 807888
1-[4-(2-methylbenzoyl)-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 110798222
1-[4-(3-methylbenzoyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 110294235

Frequently Asked Questions

What is the IUPAC name of 1-[4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-2-phenoxyethanone (CID 28685413) is 1-[4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-2-phenoxyethanone is Cc1ccn2cc(C(=O)N3CCN(C(=O)COc4ccccc4)CC3)nc2c1.
What is the InChIKey of 1-[4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-2-phenoxyethanone?
The InChIKey is ZPYUWXKYNVALHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-16-7-8-25-14-18(22-19(25)13-16)21(27)24-11-9-23(10-12-24)20(26)15-28-17-5-3-2-4-6-17/h2-8,13-14H,9-12,15H2,1H3.
What are the key properties of 1-[4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-2-phenoxyethanone?
1-[4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-2-phenoxyethanone has a molecular weight of 378.43 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 28685413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).