[1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone

C19H26N2O2 — CID 70845735

IUPAC[1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1ccccc1C(=O)N1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C19H26N2O2/c1-15-7-3-4-8-17(15)19(23)21-13-9-16(10-14-21)18(22)20-11-5-2-6-12-20/h3-4,7-8,16H,2,5-6,9-14H2,1H3
InChIKeyPUSMMFMVZHHBFD-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.86
Rot. Bonds2

About [1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone

[1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 70845735) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is [1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID70845735
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name[1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1ccccc1C(=O)N1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C19H26N2O2/c1-15-7-3-4-8-17(15)19(23)21-13-9-16(10-14-21)18(22)20-11-5-2-6-12-20/h3-4,7-8,16H,2,5-6,9-14H2,1H3
InChIKeyPUSMMFMVZHHBFD-UHFFFAOYSA-N
XLogP2.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]methanone
CID 134029841
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1-(2-methylbenzoyl)piperidin-4-yl]methanone
CID 40880014
ethyl 4-[1-(2-methylbenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 3152307
azepan-1-yl-[1-[2-(2,3-dimethylanilino)benzoyl]piperidin-4-yl]methanone
CID 31611501
[3-(1-hydroxycyclopropyl)piperidin-1-yl]-[1-(2-methylbenzoyl)piperidin-4-yl]methanone
CID 138381659
azepan-1-yl-[1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
CID 46390269
[1-(2-bromobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 36802255
azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 27659108
[6,6-bis(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(2-methylbenzoyl)piperidin-4-yl]methanone
CID 137344390
4-[1-(2-methylbenzoyl)piperidine-4-carbonyl]-1,4-oxazepane-6-carboxylic acid
CID 138379726
[1-(2-methylbenzoyl)piperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 18133999

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone (CID 70845735) is [1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone is Cc1ccccc1C(=O)N1CCC(C(=O)N2CCCCC2)CC1.
What is the InChIKey of [1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is PUSMMFMVZHHBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-15-7-3-4-8-17(15)19(23)21-13-9-16(10-14-21)18(22)20-11-5-2-6-12-20/h3-4,7-8,16H,2,5-6,9-14H2,1H3.
What are the key properties of [1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone?
[1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 314.43 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 70845735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).