2-[1-(2-methoxybenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide

C24H31N3O3 — CID 42852107

IUPAC2-[1-(2-methoxybenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCOc1ccccc1C(=O)N1CCC(c2nc(C)ccc2C(=O)N(C)C(C)C)CC1
InChIInChI=1S/C24H31N3O3/c1-16(2)26(4)23(28)20-11-10-17(3)25-22(20)18-12-14-27(15-13-18)24(29)19-8-6-7-9-21(19)30-5/h6-11,16,18H,12-15H2,1-5H3
InChIKeyVIUBRDDKAFHLBX-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.90
Rot. Bonds5

About 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide

2-[1-(2-methoxybenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 42852107) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-(2-methoxybenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide
PubChem CID42852107
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name2-[1-(2-methoxybenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCOc1ccccc1C(=O)N1CCC(c2nc(C)ccc2C(=O)N(C)C(C)C)CC1
InChIInChI=1S/C24H31N3O3/c1-16(2)26(4)23(28)20-11-10-17(3)25-22(20)18-12-14-27(15-13-18)24(29)19-8-6-7-9-21(19)30-5/h6-11,16,18H,12-15H2,1-5H3
InChIKeyVIUBRDDKAFHLBX-UHFFFAOYSA-N
XLogP3.90
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 42851966
2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 42867148
[4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 110116964
1-[4-[2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 42867222
[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 110289890
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
2-[1-[2-(dimethylamino)benzoyl]piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 3415479
[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 51327321
2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 46044678
2-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-[(2-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 42867314
2-[1-(ethylcarbamoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 42867441
(4-methylphenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 46044756

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide (CID 42852107) is 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide is COc1ccccc1C(=O)N1CCC(c2nc(C)ccc2C(=O)N(C)C(C)C)CC1.
What is the InChIKey of 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is VIUBRDDKAFHLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-16(2)26(4)23(28)20-11-10-17(3)25-22(20)18-12-14-27(15-13-18)24(29)19-8-6-7-9-21(19)30-5/h6-11,16,18H,12-15H2,1-5H3.
What are the key properties of 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide?
2-[1-(2-methoxybenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 42852107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).