2-methyl-2-(4-methylphenyl)-1-[(3R)-3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one

C27H35N3O2 — CID 92621989

IUPAC2-methyl-2-(4-methylphenyl)-1-[(3R)-3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
SMILESCc1ccc(C(C)(C)C(=O)N2CCC[C@@H](c3ccc(C(=O)N4CCCCC4)cn3)C2)cc1
InChIInChI=1S/C27H35N3O2/c1-20-9-12-23(13-10-20)27(2,3)26(32)30-17-7-8-22(19-30)24-14-11-21(18-28-24)25(31)29-15-5-4-6-16-29/h9-14,18,22H,4-8,15-17,19H2,1-3H3/t22-/m1/s1
InChIKeyGOGXNXBIPMZOQC-JOCHJYFZSA-N
MW433.60 g/mol
LogP4.70
Rot. Bonds4

About 2-methyl-2-(4-methylphenyl)-1-[(3R)-3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one

2-methyl-2-(4-methylphenyl)-1-[(3R)-3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one (PubChem CID 92621989) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is 2-methyl-2-(4-methylphenyl)-1-[(3R)-3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-2-(4-methylphenyl)-1-[(3R)-3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
PubChem CID92621989
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC Name2-methyl-2-(4-methylphenyl)-1-[(3R)-3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
SMILESCc1ccc(C(C)(C)C(=O)N2CCC[C@@H](c3ccc(C(=O)N4CCCCC4)cn3)C2)cc1
InChIInChI=1S/C27H35N3O2/c1-20-9-12-23(13-10-20)27(2,3)26(32)30-17-7-8-22(19-30)24-14-11-21(18-28-24)25(31)29-15-5-4-6-16-29/h9-14,18,22H,4-8,15-17,19H2,1-3H3/t22-/m1/s1
InChIKeyGOGXNXBIPMZOQC-JOCHJYFZSA-N
XLogP4.70
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110090089
2-methyl-2-(4-methylphenyl)-1-(3-pyrimidin-4-ylpiperidin-1-yl)propan-1-one
CID 110114958
N-cyclopentyl-6-[(3S)-1-[2-(4-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]pyridine-3-carboxamide
CID 92636902
2-methyl-2-(4-methylphenyl)-1-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 110244181
(1-methylpyrazol-4-yl)-[(3R)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 95824581
2-methyl-2-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
CID 113198016
[6-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 92621580
(4-methylphenyl)-(3-pyridin-2-ylpiperidin-1-yl)methanone
CID 121451790
6-[1-[2-methyl-2-(4-methylphenyl)propanoyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 110264404
2-(2-fluorophenoxy)-1-[3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110264227
1-[3-(1-aminoethyl)piperidin-1-yl]-2-methyl-2-(4-methylphenyl)propan-1-one
CID 119593580
acetic acid;[6-(1-methylpiperidin-3-yl)-3-pyridinyl]-morpholin-4-ylmethanone
CID 171687261

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methylphenyl)-1-[(3R)-3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-2-(4-methylphenyl)-1-[(3R)-3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one (CID 92621989) is 2-methyl-2-(4-methylphenyl)-1-[(3R)-3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-2-(4-methylphenyl)-1-[(3R)-3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-2-(4-methylphenyl)-1-[(3R)-3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one is Cc1ccc(C(C)(C)C(=O)N2CCC[C@@H](c3ccc(C(=O)N4CCCCC4)cn3)C2)cc1.
What is the InChIKey of 2-methyl-2-(4-methylphenyl)-1-[(3R)-3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one?
The InChIKey is GOGXNXBIPMZOQC-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-20-9-12-23(13-10-20)27(2,3)26(32)30-17-7-8-22(19-30)24-14-11-21(18-28-24)25(31)29-15-5-4-6-16-29/h9-14,18,22H,4-8,15-17,19H2,1-3H3/t22-/m1/s1.
What are the key properties of 2-methyl-2-(4-methylphenyl)-1-[(3R)-3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one?
2-methyl-2-(4-methylphenyl)-1-[(3R)-3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one has a molecular weight of 433.60 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylphenyl)-1-[(3R)-3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 92621989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).