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

C23H29N3O3 — CID 42851966

IUPAC2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCOc1ccccc1C(=O)N1CCC(c2nc(C)ccc2C(=O)NC(C)C)CC1
InChIInChI=1S/C23H29N3O3/c1-15(2)24-22(27)19-10-9-16(3)25-21(19)17-11-13-26(14-12-17)23(28)18-7-5-6-8-20(18)29-4/h5-10,15,17H,11-14H2,1-4H3,(H,24,27)
InChIKeyNPKSGDGIZQXBJC-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.56
Rot. Bonds5

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

2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 42851966) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
PubChem CID42851966
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCOc1ccccc1C(=O)N1CCC(c2nc(C)ccc2C(=O)NC(C)C)CC1
InChIInChI=1S/C23H29N3O3/c1-15(2)24-22(27)19-10-9-16(3)25-21(19)17-11-13-26(14-12-17)23(28)18-7-5-6-8-20(18)29-4/h5-10,15,17H,11-14H2,1-4H3,(H,24,27)
InChIKeyNPKSGDGIZQXBJC-UHFFFAOYSA-N
XLogP3.56
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-methoxybenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide
CID 42852107
2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 42867148
2-[1-(3-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 42868016
6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 42851957
2-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 42851965
2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 46044678
2-[1-(ethylcarbamoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 42867441
2-[1-(4-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(1-phenylethyl)pyridine-3-carboxamide
CID 42867125
2-[1-[2-(difluoromethoxy)benzoyl]piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 3744816
2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 42867368
N-[(2-methoxyphenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 83287729
(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]-6-methyl-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide (CID 42851966) is 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide is COc1ccccc1C(=O)N1CCC(c2nc(C)ccc2C(=O)NC(C)C)CC1.
What is the InChIKey of 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is NPKSGDGIZQXBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-15(2)24-22(27)19-10-9-16(3)25-21(19)17-11-13-26(14-12-17)23(28)18-7-5-6-8-20(18)29-4/h5-10,15,17H,11-14H2,1-4H3,(H,24,27).
What are the key properties of 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide?
2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 42851966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).