N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide

C18H24N2O2 — CID 110820253

IUPACN-[1-(2-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
SMILESCc1ccccc1C(=O)N1CCC(NC(=O)C2CCC2)CC1
InChIInChI=1S/C18H24N2O2/c1-13-5-2-3-8-16(13)18(22)20-11-9-15(10-12-20)19-17(21)14-6-4-7-14/h2-3,5,8,14-15H,4,6-7,9-12H2,1H3,(H,19,21)
InChIKeyPJTUZTPOMBPVPM-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.52
Rot. Bonds3

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

N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide (PubChem CID 110820253) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-(2-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
PubChem CID110820253
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[1-(2-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
SMILESCc1ccccc1C(=O)N1CCC(NC(=O)C2CCC2)CC1
InChIInChI=1S/C18H24N2O2/c1-13-5-2-3-8-16(13)18(22)20-11-9-15(10-12-20)19-17(21)14-6-4-7-14/h2-3,5,8,14-15H,4,6-7,9-12H2,1H3,(H,19,21)
InChIKeyPJTUZTPOMBPVPM-UHFFFAOYSA-N
XLogP2.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 51096408
1,1-dimethyl-3-[1-(2-methylbenzoyl)piperidin-4-yl]urea
CID 108566970
2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]benzoic acid
CID 113083284
N-[1-(2-fluorobenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110820345
N-[1-(2-methoxybenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110820511
2-chloro-N-[1-(2-methylbenzoyl)piperidin-4-yl]acetamide
CID 108566977
N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820327
N-[1-(2-bromobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 60758403
1-(2-chlorobenzoyl)-N-cyclopentylpiperidine-4-carboxamide
CID 1072799
N-[1-(2-aminobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 60960262
N-(1-benzoylpiperidin-4-yl)cyclopentanecarboxamide
CID 110820191
1-(2-chlorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide
CID 1072829

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide (CID 110820253) is N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide is Cc1ccccc1C(=O)N1CCC(NC(=O)C2CCC2)CC1.
What is the InChIKey of N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide?
The InChIKey is PJTUZTPOMBPVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13-5-2-3-8-16(13)18(22)20-11-9-15(10-12-20)19-17(21)14-6-4-7-14/h2-3,5,8,14-15H,4,6-7,9-12H2,1H3,(H,19,21).
What are the key properties of N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide?
N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide has a molecular weight of 300.40 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide is sourced from PubChem (CID 110820253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).