6-[(3S)-1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide

C24H31N3O3 — CID 92621849

IUPAC6-[(3S)-1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1ccc(CCC(=O)N2CCC[C@H](c3ccc(C(=O)N(C)C)cn3)C2)cc1C
InChIInChI=1S/C24H31N3O3/c1-17-14-18(7-11-22(17)30-4)8-12-23(28)27-13-5-6-20(16-27)21-10-9-19(15-25-21)24(29)26(2)3/h7,9-11,14-15,20H,5-6,8,12-13,16H2,1-4H3/t20-/m0/s1
InChIKeyMICFKLXUEOPZCW-FQEVSTJZSA-N
MW409.53 g/mol
LogP3.44
Rot. Bonds6

About 6-[(3S)-1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide

6-[(3S)-1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 92621849) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 6-[(3S)-1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3S)-1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID92621849
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name6-[(3S)-1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1ccc(CCC(=O)N2CCC[C@H](c3ccc(C(=O)N(C)C)cn3)C2)cc1C
InChIInChI=1S/C24H31N3O3/c1-17-14-18(7-11-22(17)30-4)8-12-23(28)27-13-5-6-20(16-27)21-10-9-19(15-25-21)24(29)26(2)3/h7,9-11,14-15,20H,5-6,8,12-13,16H2,1-4H3/t20-/m0/s1
InChIKeyMICFKLXUEOPZCW-FQEVSTJZSA-N
XLogP3.44
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide
CID 110264291
6-[1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide
CID 92623279
3-(4-methoxy-3-methylphenyl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 110264292
3-(4-methoxyphenyl)-1-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 110263839
6-[1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide
CID 110264214
6-[(3S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide
CID 92640653
N,N-dimethyl-6-[(3S)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]pyridine-3-carboxamide
CID 95834324
3-(4-methoxy-3-methylphenyl)-1-piperazin-1-ylpropan-1-one
CID 82133342
3-(3,4-dimethoxyphenyl)-1-[(3S)-3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 42238811
3-(3-bromo-4-methoxyphenyl)-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 56532952
3-(3-fluoro-4-methoxyphenyl)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 95734417
ethyl (3S)-1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidine-3-carboxylate
CID 94014542

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[(3S)-1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide (CID 92621849) is 6-[(3S)-1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(3S)-1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[(3S)-1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide is COc1ccc(CCC(=O)N2CCC[C@H](c3ccc(C(=O)N(C)C)cn3)C2)cc1C.
What is the InChIKey of 6-[(3S)-1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is MICFKLXUEOPZCW-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-17-14-18(7-11-22(17)30-4)8-12-23(28)27-13-5-6-20(16-27)21-10-9-19(15-25-21)24(29)26(2)3/h7,9-11,14-15,20H,5-6,8,12-13,16H2,1-4H3/t20-/m0/s1.
What are the key properties of 6-[(3S)-1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide?
6-[(3S)-1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 92621849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).