2-[(3R)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]-6-methylpyridine-3-carboxamide

C22H27N3O3 — CID 95545192

IUPAC2-[(3R)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]-6-methylpyridine-3-carboxamide
SMILESCOc1c(C)cc(C(=O)[C@@H]2CCCN(c3nc(C)ccc3C(N)=O)C2)cc1C
InChIInChI=1S/C22H27N3O3/c1-13-10-17(11-14(2)20(13)28-4)19(26)16-6-5-9-25(12-16)22-18(21(23)27)8-7-15(3)24-22/h7-8,10-11,16H,5-6,9,12H2,1-4H3,(H2,23,27)/t16-/m1/s1
InChIKeyVBKSGHRZFHNDPD-MRXNPFEDSA-N
MW381.48 g/mol
LogP3.21
Rot. Bonds5

About 2-[(3R)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]-6-methylpyridine-3-carboxamide

2-[(3R)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]-6-methylpyridine-3-carboxamide (PubChem CID 95545192) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[(3R)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3R)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]-6-methylpyridine-3-carboxamide
PubChem CID95545192
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-[(3R)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]-6-methylpyridine-3-carboxamide
SMILESCOc1c(C)cc(C(=O)[C@@H]2CCCN(c3nc(C)ccc3C(N)=O)C2)cc1C
InChIInChI=1S/C22H27N3O3/c1-13-10-17(11-14(2)20(13)28-4)19(26)16-6-5-9-25(12-16)22-18(21(23)27)8-7-15(3)24-22/h7-8,10-11,16H,5-6,9,12H2,1-4H3,(H2,23,27)/t16-/m1/s1
InChIKeyVBKSGHRZFHNDPD-MRXNPFEDSA-N
XLogP3.21
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 95564061
6-methyl-2-[3-(methylamino)piperidin-1-yl]pyridine-3-carboxamide
CID 55086445
[(3R)-1-cyclopentylpiperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 25279925
methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-3-carboxylate
CID 78920412
(4-methoxy-3,5-dimethylphenyl)-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone
CID 45231207
(4-methoxy-3,5-dimethylphenyl)-[1-(3-methylsulfanylpropyl)piperidin-3-yl]methanone
CID 45219638
(4-methoxy-3,5-dimethylphenyl)-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 24793854
[1-[4-(dimethylamino)benzoyl]piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 45199439
methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxylate
CID 112731118
(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42567289
2-[(3S)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]-1,3-thiazole-4-carboxamide
CID 95551992
ethyl 2-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]amino]acetate
CID 23723203

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 2-[(3R)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]-6-methylpyridine-3-carboxamide (CID 95545192) is 2-[(3R)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[(3R)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[(3R)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]-6-methylpyridine-3-carboxamide is COc1c(C)cc(C(=O)[C@@H]2CCCN(c3nc(C)ccc3C(N)=O)C2)cc1C.
What is the InChIKey of 2-[(3R)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]-6-methylpyridine-3-carboxamide?
The InChIKey is VBKSGHRZFHNDPD-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-13-10-17(11-14(2)20(13)28-4)19(26)16-6-5-9-25(12-16)22-18(21(23)27)8-7-15(3)24-22/h7-8,10-11,16H,5-6,9,12H2,1-4H3,(H2,23,27)/t16-/m1/s1.
What are the key properties of 2-[(3R)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]-6-methylpyridine-3-carboxamide?
2-[(3R)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 95545192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).