1-[4-[2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone

C27H34N4O5 — CID 42867222

IUPAC1-[4-[2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(C(=O)N2CCC(c3nc(C)ccc3C(=O)N3CCN(C(C)=O)CC3)CC2)cc1OC
InChIInChI=1S/C27H34N4O5/c1-18-5-7-22(27(34)31-15-13-29(14-16-31)19(2)32)25(28-18)20-9-11-30(12-10-20)26(33)21-6-8-23(35-3)24(17-21)36-4/h5-8,17,20H,9-16H2,1-4H3
InChIKeyZUYWYIJOKJAFRX-UHFFFAOYSA-N
MW494.59 g/mol
LogP2.73
Rot. Bonds5

About 1-[4-[2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone

1-[4-[2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone (PubChem CID 42867222) has the molecular formula C27H34N4O5 and a molecular weight of 494.59 g/mol. Its IUPAC name is 1-[4-[2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone
PubChem CID42867222
Molecular FormulaC27H34N4O5
Molecular Weight494.59 g/mol
Exact Mass494.25
IUPAC Name1-[4-[2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(C(=O)N2CCC(c3nc(C)ccc3C(=O)N3CCN(C(C)=O)CC3)CC2)cc1OC
InChIInChI=1S/C27H34N4O5/c1-18-5-7-22(27(34)31-15-13-29(14-16-31)19(2)32)25(28-18)20-9-11-30(12-10-20)26(33)21-6-8-23(35-3)24(17-21)36-4/h5-8,17,20H,9-16H2,1-4H3
InChIKeyZUYWYIJOKJAFRX-UHFFFAOYSA-N
XLogP2.73
TPSA92.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.59
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 42868116
2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 42867368
N-(2-bicyclo[2.2.1]heptanyl)-2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 42867171
(4-methylphenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 46044756
[4-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 46068533
(4-chlorophenyl)-[4-[6-methyl-3-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42852078
[4-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 42867342
2-[1-(3-bromobenzoyl)piperidin-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 46068949
(3-fluorophenyl)-[4-[6-methyl-3-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42852061
2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 42851966
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
1-[4-[2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 42867461

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone (CID 42867222) is 1-[4-[2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone is COc1ccc(C(=O)N2CCC(c3nc(C)ccc3C(=O)N3CCN(C(C)=O)CC3)CC2)cc1OC.
What is the InChIKey of 1-[4-[2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is ZUYWYIJOKJAFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O5/c1-18-5-7-22(27(34)31-15-13-29(14-16-31)19(2)32)25(28-18)20-9-11-30(12-10-20)26(33)21-6-8-23(35-3)24(17-21)36-4/h5-8,17,20H,9-16H2,1-4H3.
What are the key properties of 1-[4-[2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone?
1-[4-[2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 494.59 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 42867222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).