1-(3,5-dimethylbenzoyl)-N-(6-methoxy-3-pyridinyl)piperidine-3-carboxamide

C21H25N3O3 — CID 55787560

IUPAC1-(3,5-dimethylbenzoyl)-N-(6-methoxy-3-pyridinyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cn1
InChIInChI=1S/C21H25N3O3/c1-14-9-15(2)11-17(10-14)21(26)24-8-4-5-16(13-24)20(25)23-18-6-7-19(27-3)22-12-18/h6-7,9-12,16H,4-5,8,13H2,1-3H3,(H,23,25)
InChIKeyMLRDLENZIJEKOM-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.20
Rot. Bonds4

About 1-(3,5-dimethylbenzoyl)-N-(6-methoxy-3-pyridinyl)piperidine-3-carboxamide

1-(3,5-dimethylbenzoyl)-N-(6-methoxy-3-pyridinyl)piperidine-3-carboxamide (PubChem CID 55787560) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-(3,5-dimethylbenzoyl)-N-(6-methoxy-3-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylbenzoyl)-N-(6-methoxy-3-pyridinyl)piperidine-3-carboxamide
PubChem CID55787560
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1-(3,5-dimethylbenzoyl)-N-(6-methoxy-3-pyridinyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cn1
InChIInChI=1S/C21H25N3O3/c1-14-9-15(2)11-17(10-14)21(26)24-8-4-5-16(13-24)20(25)23-18-6-7-19(27-3)22-12-18/h6-7,9-12,16H,4-5,8,13H2,1-3H3,(H,23,25)
InChIKeyMLRDLENZIJEKOM-UHFFFAOYSA-N
XLogP3.20
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylbenzoyl)-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide
CID 138996186
(3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082860
(3S)-1-(3,5-dimethylbenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 94082813
1-(3,5-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 46489523
(3S)-N-(4-bromo-3-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082833
1-(3,5-dimethylbenzoyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]piperidine-3-carboxamide
CID 55828569
N-[4-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 55791693
N-(2,4-dimethoxyphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 50803885
1-(6-methoxypyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 47067016
(3R)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 34970341
S-[4-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56544317
N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55623806

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylbenzoyl)-N-(6-methoxy-3-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylbenzoyl)-N-(6-methoxy-3-pyridinyl)piperidine-3-carboxamide (CID 55787560) is 1-(3,5-dimethylbenzoyl)-N-(6-methoxy-3-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylbenzoyl)-N-(6-methoxy-3-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylbenzoyl)-N-(6-methoxy-3-pyridinyl)piperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cn1.
What is the InChIKey of 1-(3,5-dimethylbenzoyl)-N-(6-methoxy-3-pyridinyl)piperidine-3-carboxamide?
The InChIKey is MLRDLENZIJEKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-14-9-15(2)11-17(10-14)21(26)24-8-4-5-16(13-24)20(25)23-18-6-7-19(27-3)22-12-18/h6-7,9-12,16H,4-5,8,13H2,1-3H3,(H,23,25).
What are the key properties of 1-(3,5-dimethylbenzoyl)-N-(6-methoxy-3-pyridinyl)piperidine-3-carboxamide?
1-(3,5-dimethylbenzoyl)-N-(6-methoxy-3-pyridinyl)piperidine-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylbenzoyl)-N-(6-methoxy-3-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 55787560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).