2-(4-benzhydrylpiperidin-1-yl)-N-cyclopentylacetamide;methane

C26H36N2O — CID 162078080

IUPAC2-(4-benzhydrylpiperidin-1-yl)-N-cyclopentylacetamide;methane
SMILESC.O=C(CN1CCC(C(c2ccccc2)c2ccccc2)CC1)NC1CCCC1
InChIInChI=1S/C25H32N2O.CH4/c28-24(26-23-13-7-8-14-23)19-27-17-15-22(16-18-27)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21;/h1-6,9-12,22-23,25H,7-8,13-19H2,(H,26,28);1H4
InChIKeyZBYWZQAOBGPHTM-UHFFFAOYSA-N
MW392.59 g/mol
LogP5.23
Rot. Bonds6

About 2-(4-benzhydrylpiperidin-1-yl)-N-cyclopentylacetamide;methane

2-(4-benzhydrylpiperidin-1-yl)-N-cyclopentylacetamide;methane (PubChem CID 162078080) has the molecular formula C26H36N2O and a molecular weight of 392.59 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperidin-1-yl)-N-cyclopentylacetamide;methane.

Molecular Properties

Compound Name2-(4-benzhydrylpiperidin-1-yl)-N-cyclopentylacetamide;methane
PubChem CID162078080
Molecular FormulaC26H36N2O
Molecular Weight392.59 g/mol
Exact Mass392.28
IUPAC Name2-(4-benzhydrylpiperidin-1-yl)-N-cyclopentylacetamide;methane
SMILESC.O=C(CN1CCC(C(c2ccccc2)c2ccccc2)CC1)NC1CCCC1
InChIInChI=1S/C25H32N2O.CH4/c28-24(26-23-13-7-8-14-23)19-27-17-15-22(16-18-27)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21;/h1-6,9-12,22-23,25H,7-8,13-19H2,(H,26,28);1H4
InChIKeyZBYWZQAOBGPHTM-UHFFFAOYSA-N
XLogP5.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.59
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-benzhydrylpiperidin-1-yl)-N-propan-2-ylacetamide
CID 59104361
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide
CID 30635957
1-[2-(cyclohexylamino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134327
N-cyclohexyl-2-(4-pyridin-2-ylpiperidin-1-yl)acetamide
CID 68873162
2-(3-anilinopyrrolidin-1-yl)-N-cyclooctylacetamide
CID 102555895
(3S)-N-cyclopentyl-3-phenylbutanamide
CID 697485
N-cycloheptyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 112628204
1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119908022
N-cyclohexyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8529369
N-cyclopropyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 6468807
2-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-(oxan-4-yl)acetamide
CID 95978154
N-[1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide
CID 7411819

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperidin-1-yl)-N-cyclopentylacetamide;methane?
The IUPAC name of 2-(4-benzhydrylpiperidin-1-yl)-N-cyclopentylacetamide;methane (CID 162078080) is 2-(4-benzhydrylpiperidin-1-yl)-N-cyclopentylacetamide;methane.
What is the SMILES notation for 2-(4-benzhydrylpiperidin-1-yl)-N-cyclopentylacetamide;methane?
The canonical SMILES for 2-(4-benzhydrylpiperidin-1-yl)-N-cyclopentylacetamide;methane is C.O=C(CN1CCC(C(c2ccccc2)c2ccccc2)CC1)NC1CCCC1.
What is the InChIKey of 2-(4-benzhydrylpiperidin-1-yl)-N-cyclopentylacetamide;methane?
The InChIKey is ZBYWZQAOBGPHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O.CH4/c28-24(26-23-13-7-8-14-23)19-27-17-15-22(16-18-27)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21;/h1-6,9-12,22-23,25H,7-8,13-19H2,(H,26,28);1H4.
What are the key properties of 2-(4-benzhydrylpiperidin-1-yl)-N-cyclopentylacetamide;methane?
2-(4-benzhydrylpiperidin-1-yl)-N-cyclopentylacetamide;methane has a molecular weight of 392.59 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperidin-1-yl)-N-cyclopentylacetamide;methane is sourced from PubChem (CID 162078080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).