[3-[cyclohexylmethoxy-(3-methylphenyl)methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone

C29H37N3O2 — CID 56848366

IUPAC[3-[cyclohexylmethoxy-(3-methylphenyl)methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone
SMILESCc1cccc(C(OCC2CCCCC2)c2c(C)nc3ccc(C(=O)N4CCCCC4)cn23)c1
InChIInChI=1S/C29H37N3O2/c1-21-10-9-13-24(18-21)28(34-20-23-11-5-3-6-12-23)27-22(2)30-26-15-14-25(19-32(26)27)29(33)31-16-7-4-8-17-31/h9-10,13-15,18-19,23,28H,3-8,11-12,16-17,20H2,1-2H3
InChIKeyHBTMZGWWXNABMC-UHFFFAOYSA-N
MW459.63 g/mol
LogP6.26
Rot. Bonds6

About [3-[cyclohexylmethoxy-(3-methylphenyl)methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone

[3-[cyclohexylmethoxy-(3-methylphenyl)methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone (PubChem CID 56848366) has the molecular formula C29H37N3O2 and a molecular weight of 459.63 g/mol. Its IUPAC name is [3-[cyclohexylmethoxy-(3-methylphenyl)methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[cyclohexylmethoxy-(3-methylphenyl)methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone
PubChem CID56848366
Molecular FormulaC29H37N3O2
Molecular Weight459.63 g/mol
Exact Mass459.29
IUPAC Name[3-[cyclohexylmethoxy-(3-methylphenyl)methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone
SMILESCc1cccc(C(OCC2CCCCC2)c2c(C)nc3ccc(C(=O)N4CCCCC4)cn23)c1
InChIInChI=1S/C29H37N3O2/c1-21-10-9-13-24(18-21)28(34-20-23-11-5-3-6-12-23)27-22(2)30-26-15-14-25(19-32(26)27)29(33)31-16-7-4-8-17-31/h9-10,13-15,18-19,23,28H,3-8,11-12,16-17,20H2,1-2H3
InChIKeyHBTMZGWWXNABMC-UHFFFAOYSA-N
XLogP6.26
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.63
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-[cyclohexylmethoxy-(3-methylphenyl)methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[3-(3-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone
CID 56848051
[2-methyl-3-(3-piperidin-1-ylphenyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone
CID 56848262
(2-methylimidazo[1,2-a]pyridin-6-yl)-piperidin-1-ylmethanone
CID 110704149
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
[3-(cyclopentylmethoxy)phenyl]-piperidin-1-ylmethanone
CID 126671401
1-[2-bromo-1-(cyclohexylmethoxy)ethyl]-3-methylbenzene
CID 55193250
(3-methylphenyl)-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone
CID 141155816
(4-cyclohexylsulfonylpiperazin-1-yl)-(2-methyl-3-phenylimidazo[1,2-a]pyridin-6-yl)methanone
CID 56848415
(2-methylimidazo[1,2-a]pyridin-6-yl)-(4-methylpiperidin-1-yl)methanone
CID 110704151
[1-(cyclohexylmethyl)-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone
CID 155598851
(4-methylazepan-1-yl)-(3-methylphenyl)methanone
CID 84581250
N-[4-(azepane-1-carbonyl)phenyl]-3-methylbenzamide
CID 17198989

Frequently Asked Questions

What is the IUPAC name of [3-[cyclohexylmethoxy-(3-methylphenyl)methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[cyclohexylmethoxy-(3-methylphenyl)methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone (CID 56848366) is [3-[cyclohexylmethoxy-(3-methylphenyl)methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[cyclohexylmethoxy-(3-methylphenyl)methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[cyclohexylmethoxy-(3-methylphenyl)methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone is Cc1cccc(C(OCC2CCCCC2)c2c(C)nc3ccc(C(=O)N4CCCCC4)cn23)c1.
What is the InChIKey of [3-[cyclohexylmethoxy-(3-methylphenyl)methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone?
The InChIKey is HBTMZGWWXNABMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O2/c1-21-10-9-13-24(18-21)28(34-20-23-11-5-3-6-12-23)27-22(2)30-26-15-14-25(19-32(26)27)29(33)31-16-7-4-8-17-31/h9-10,13-15,18-19,23,28H,3-8,11-12,16-17,20H2,1-2H3.
What are the key properties of [3-[cyclohexylmethoxy-(3-methylphenyl)methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone?
[3-[cyclohexylmethoxy-(3-methylphenyl)methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone has a molecular weight of 459.63 g/mol, XLogP of 6.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[cyclohexylmethoxy-(3-methylphenyl)methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 56848366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).