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

C24H31N3O3 — CID 92623279

IUPAC6-[1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1ccc(CCC(=O)N2CCC(c3ccc(C(=O)N(C)C)cn3)CC2)cc1C
InChIInChI=1S/C24H31N3O3/c1-17-15-18(5-9-22(17)30-4)6-10-23(28)27-13-11-19(12-14-27)21-8-7-20(16-25-21)24(29)26(2)3/h5,7-9,15-16,19H,6,10-14H2,1-4H3
InChIKeyJOGGLLKVMBVSPN-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.44
Rot. Bonds6

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

6-[1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 92623279) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 6-[1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID92623279
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name6-[1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1ccc(CCC(=O)N2CCC(c3ccc(C(=O)N(C)C)cn3)CC2)cc1C
InChIInChI=1S/C24H31N3O3/c1-17-15-18(5-9-22(17)30-4)6-10-23(28)27-13-11-19(12-14-27)21-8-7-20(16-25-21)24(29)26(2)3/h5,7-9,15-16,19H,6,10-14H2,1-4H3
InChIKeyJOGGLLKVMBVSPN-UHFFFAOYSA-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-[(3S)-1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide
CID 92621849
6-[1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide
CID 110264291
3-(4-methoxy-3-methylphenyl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 110264292
3-(4-methoxy-3-methylphenyl)-1-piperazin-1-ylpropan-1-one
CID 82133342
2-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
CID 53168354
3-(3,4-dimethoxyphenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 47061048
methyl 1-[3-(3,4-dimethylphenyl)propanoyl]piperidine-4-carboxylate
CID 100539386
3-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-1,1-dimethylurea
CID 108566557
6-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 92637019
4-(4-ethoxy-3-methylphenyl)-1-[4-(2H-tetrazol-5-yl)piperidin-1-yl]butan-1-one
CID 46991069
4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N,N-dimethylbenzamide
CID 110300015
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-4-(dimethylamino)benzamide
CID 108557972

Frequently Asked Questions

What is the IUPAC name of 6-[1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide (CID 92623279) is 6-[1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide is COc1ccc(CCC(=O)N2CCC(c3ccc(C(=O)N(C)C)cn3)CC2)cc1C.
What is the InChIKey of 6-[1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is JOGGLLKVMBVSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-17-15-18(5-9-22(17)30-4)6-10-23(28)27-13-11-19(12-14-27)21-8-7-20(16-25-21)24(29)26(2)3/h5,7-9,15-16,19H,6,10-14H2,1-4H3.
What are the key properties of 6-[1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide?
6-[1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-4-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-[1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 92623279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).