3-(4-methoxy-3-methylphenyl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one

C26H33N3O3 — CID 110264292

IUPAC3-(4-methoxy-3-methylphenyl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCCC(c3ccc(C(=O)N4CCCC4)cn3)C2)cc1C
InChIInChI=1S/C26H33N3O3/c1-19-16-20(7-11-24(19)32-2)8-12-25(30)29-15-5-6-22(18-29)23-10-9-21(17-27-23)26(31)28-13-3-4-14-28/h7,9-11,16-17,22H,3-6,8,12-15,18H2,1-2H3
InChIKeyQFCQYPDCWYFRKC-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.97
Rot. Bonds6

About 3-(4-methoxy-3-methylphenyl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one

3-(4-methoxy-3-methylphenyl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one (PubChem CID 110264292) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is 3-(4-methoxy-3-methylphenyl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-methoxy-3-methylphenyl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
PubChem CID110264292
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name3-(4-methoxy-3-methylphenyl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCCC(c3ccc(C(=O)N4CCCC4)cn3)C2)cc1C
InChIInChI=1S/C26H33N3O3/c1-19-16-20(7-11-24(19)32-2)8-12-25(30)29-15-5-6-22(18-29)23-10-9-21(17-27-23)26(31)28-13-3-4-14-28/h7,9-11,16-17,22H,3-6,8,12-15,18H2,1-2H3
InChIKeyQFCQYPDCWYFRKC-UHFFFAOYSA-N
XLogP3.97
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-methoxy-3-methylphenyl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one with MolForge

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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
6-[1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide
CID 92623279
1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110090089
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 110264319
3-(4-methoxyphenyl)-1-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 110263839
2-(2-fluorophenoxy)-1-[3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110264227
1-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-3-(4-methylphenyl)propan-1-one
CID 108543805
ethyl (3S)-1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidine-3-carboxylate
CID 94014542
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
1-[3-(3,4-dimethylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 84613853

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-methylphenyl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(4-methoxy-3-methylphenyl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one (CID 110264292) is 3-(4-methoxy-3-methylphenyl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-methoxy-3-methylphenyl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-methoxy-3-methylphenyl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one is COc1ccc(CCC(=O)N2CCCC(c3ccc(C(=O)N4CCCC4)cn3)C2)cc1C.
What is the InChIKey of 3-(4-methoxy-3-methylphenyl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one?
The InChIKey is QFCQYPDCWYFRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-19-16-20(7-11-24(19)32-2)8-12-25(30)29-15-5-6-22(18-29)23-10-9-21(17-27-23)26(31)28-13-3-4-14-28/h7,9-11,16-17,22H,3-6,8,12-15,18H2,1-2H3.
What are the key properties of 3-(4-methoxy-3-methylphenyl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one?
3-(4-methoxy-3-methylphenyl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one has a molecular weight of 435.57 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-methylphenyl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110264292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).