(4-chlorophenyl)-[(3S)-1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methanone

C21H20ClN3O2 — CID 42098520

IUPAC(4-chlorophenyl)-[(3S)-1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methanone
SMILESCc1cccn2cc(C(=O)N3CCC[C@H](C(=O)c4ccc(Cl)cc4)C3)nc12
InChIInChI=1S/C21H20ClN3O2/c1-14-4-2-10-24-13-18(23-20(14)24)21(27)25-11-3-5-16(12-25)19(26)15-6-8-17(22)9-7-15/h2,4,6-10,13,16H,3,5,11-12H2,1H3/t16-/m0/s1
InChIKeyGPGRWSOQDKAPFL-INIZCTEOSA-N
MW381.86 g/mol
LogP4.03
Rot. Bonds3

About (4-chlorophenyl)-[(3S)-1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methanone

(4-chlorophenyl)-[(3S)-1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methanone (PubChem CID 42098520) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is (4-chlorophenyl)-[(3S)-1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[(3S)-1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methanone
PubChem CID42098520
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name(4-chlorophenyl)-[(3S)-1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methanone
SMILESCc1cccn2cc(C(=O)N3CCC[C@H](C(=O)c4ccc(Cl)cc4)C3)nc12
InChIInChI=1S/C21H20ClN3O2/c1-14-4-2-10-24-13-18(23-20(14)24)21(27)25-11-3-5-16(12-25)19(26)15-6-8-17(22)9-7-15/h2,4,6-10,13,16H,3,5,11-12H2,1H3/t16-/m0/s1
InChIKeyGPGRWSOQDKAPFL-INIZCTEOSA-N
XLogP4.03
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-3-yl]methanone
CID 110289382
(3R)-N-cyclopentyl-1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-3-carboxamide
CID 92635367
azepan-1-yl-[(2S)-4-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)morpholin-2-yl]methanone
CID 92632850
[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 74240001
[3-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 46999489
[(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone
CID 42518126
[1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
CID 45243380
[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 167786897
(8-methylimidazo[1,2-a]pyridin-2-yl)-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95222377
(8-methylimidazo[1,2-a]pyridin-2-yl)-piperazin-1-ylmethanone
CID 39162238
[4-(3-chlorophenyl)piperazin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 87051382
1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 43355877

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[(3S)-1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[(3S)-1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methanone (CID 42098520) is (4-chlorophenyl)-[(3S)-1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[(3S)-1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[(3S)-1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methanone is Cc1cccn2cc(C(=O)N3CCC[C@H](C(=O)c4ccc(Cl)cc4)C3)nc12.
What is the InChIKey of (4-chlorophenyl)-[(3S)-1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methanone?
The InChIKey is GPGRWSOQDKAPFL-INIZCTEOSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-14-4-2-10-24-13-18(23-20(14)24)21(27)25-11-3-5-16(12-25)19(26)15-6-8-17(22)9-7-15/h2,4,6-10,13,16H,3,5,11-12H2,1H3/t16-/m0/s1.
What are the key properties of (4-chlorophenyl)-[(3S)-1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methanone?
(4-chlorophenyl)-[(3S)-1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methanone has a molecular weight of 381.86 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[(3S)-1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 42098520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).