[4-[4-(6-benzyl-2-pyridinyl)piperidine-1-carbonyl]-4-methylpiperidin-1-yl]-cyclopentylmethanone

C30H39N3O2 — CID 110150708

IUPAC[4-[4-(6-benzyl-2-pyridinyl)piperidine-1-carbonyl]-4-methylpiperidin-1-yl]-cyclopentylmethanone
SMILESCC1(C(=O)N2CCC(c3cccc(Cc4ccccc4)n3)CC2)CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C30H39N3O2/c1-30(16-20-32(21-17-30)28(34)25-10-5-6-11-25)29(35)33-18-14-24(15-19-33)27-13-7-12-26(31-27)22-23-8-3-2-4-9-23/h2-4,7-9,12-13,24-25H,5-6,10-11,14-22H2,1H3
InChIKeyVJAQLYMHRHNGQX-UHFFFAOYSA-N
MW473.66 g/mol
LogP5.20
Rot. Bonds5

About [4-[4-(6-benzyl-2-pyridinyl)piperidine-1-carbonyl]-4-methylpiperidin-1-yl]-cyclopentylmethanone

[4-[4-(6-benzyl-2-pyridinyl)piperidine-1-carbonyl]-4-methylpiperidin-1-yl]-cyclopentylmethanone (PubChem CID 110150708) has the molecular formula C30H39N3O2 and a molecular weight of 473.66 g/mol. Its IUPAC name is [4-[4-(6-benzyl-2-pyridinyl)piperidine-1-carbonyl]-4-methylpiperidin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[4-[4-(6-benzyl-2-pyridinyl)piperidine-1-carbonyl]-4-methylpiperidin-1-yl]-cyclopentylmethanone
PubChem CID110150708
Molecular FormulaC30H39N3O2
Molecular Weight473.66 g/mol
Exact Mass473.30
IUPAC Name[4-[4-(6-benzyl-2-pyridinyl)piperidine-1-carbonyl]-4-methylpiperidin-1-yl]-cyclopentylmethanone
SMILESCC1(C(=O)N2CCC(c3cccc(Cc4ccccc4)n3)CC2)CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C30H39N3O2/c1-30(16-20-32(21-17-30)28(34)25-10-5-6-11-25)29(35)33-18-14-24(15-19-33)27-13-7-12-26(31-27)22-23-8-3-2-4-9-23/h2-4,7-9,12-13,24-25H,5-6,10-11,14-22H2,1H3
InChIKeyVJAQLYMHRHNGQX-UHFFFAOYSA-N
XLogP5.20
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.66
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-cyclobutylmethanone
CID 110249571
[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-cyclopentylmethanone
CID 95818235
cyclopentyl-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95809983
cyclobutyl-[3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 110249572
[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[4-(4-methoxyphenyl)oxan-4-yl]methanone
CID 129456421
1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95809910
2-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N,N-diethylacetamide
CID 95809099
1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 95809941
1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95817811
N-[1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-phenylacetamide
CID 110150048
[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 110149919
2-benzyl-6-(1-methylsulfonylpiperidin-4-yl)pyridine
CID 95817967

Frequently Asked Questions

What is the IUPAC name of [4-[4-(6-benzyl-2-pyridinyl)piperidine-1-carbonyl]-4-methylpiperidin-1-yl]-cyclopentylmethanone?
The IUPAC name of [4-[4-(6-benzyl-2-pyridinyl)piperidine-1-carbonyl]-4-methylpiperidin-1-yl]-cyclopentylmethanone (CID 110150708) is [4-[4-(6-benzyl-2-pyridinyl)piperidine-1-carbonyl]-4-methylpiperidin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [4-[4-(6-benzyl-2-pyridinyl)piperidine-1-carbonyl]-4-methylpiperidin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [4-[4-(6-benzyl-2-pyridinyl)piperidine-1-carbonyl]-4-methylpiperidin-1-yl]-cyclopentylmethanone is CC1(C(=O)N2CCC(c3cccc(Cc4ccccc4)n3)CC2)CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of [4-[4-(6-benzyl-2-pyridinyl)piperidine-1-carbonyl]-4-methylpiperidin-1-yl]-cyclopentylmethanone?
The InChIKey is VJAQLYMHRHNGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N3O2/c1-30(16-20-32(21-17-30)28(34)25-10-5-6-11-25)29(35)33-18-14-24(15-19-33)27-13-7-12-26(31-27)22-23-8-3-2-4-9-23/h2-4,7-9,12-13,24-25H,5-6,10-11,14-22H2,1H3.
What are the key properties of [4-[4-(6-benzyl-2-pyridinyl)piperidine-1-carbonyl]-4-methylpiperidin-1-yl]-cyclopentylmethanone?
[4-[4-(6-benzyl-2-pyridinyl)piperidine-1-carbonyl]-4-methylpiperidin-1-yl]-cyclopentylmethanone has a molecular weight of 473.66 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(6-benzyl-2-pyridinyl)piperidine-1-carbonyl]-4-methylpiperidin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 110150708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).