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

C18H24N2O2 — CID 110820327

IUPACN-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
SMILESCc1ccc(C(=O)N2CCC(NC(=O)C3CCC3)CC2)cc1
InChIInChI=1S/C18H24N2O2/c1-13-5-7-15(8-6-13)18(22)20-11-9-16(10-12-20)19-17(21)14-3-2-4-14/h5-8,14,16H,2-4,9-12H2,1H3,(H,19,21)
InChIKeyQIICDCPUVUUTSP-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.52
Rot. Bonds3

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

N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide (PubChem CID 110820327) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
PubChem CID110820327
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
SMILESCc1ccc(C(=O)N2CCC(NC(=O)C3CCC3)CC2)cc1
InChIInChI=1S/C18H24N2O2/c1-13-5-7-15(8-6-13)18(22)20-11-9-16(10-12-20)19-17(21)14-3-2-4-14/h5-8,14,16H,2-4,9-12H2,1H3,(H,19,21)
InChIKeyQIICDCPUVUUTSP-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

4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673425
N-(1-benzoylpiperidin-4-yl)cyclopentanecarboxamide
CID 110820191
N-[1-(3-methylbenzoyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110820278
2-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119183943
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 119183945
N-[(3S)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]cyclobutanecarboxamide
CID 95051653
N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820253
N-[1-(4-nitrobenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 2817993
3-(cyclopentanecarbonylamino)-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42853928
1-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122000335
1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
CID 1072789
N-[1-(4-methylbenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 118789924

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide (CID 110820327) is N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide is Cc1ccc(C(=O)N2CCC(NC(=O)C3CCC3)CC2)cc1.
What is the InChIKey of N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide?
The InChIKey is QIICDCPUVUUTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13-5-7-15(8-6-13)18(22)20-11-9-16(10-12-20)19-17(21)14-3-2-4-14/h5-8,14,16H,2-4,9-12H2,1H3,(H,19,21).
What are the key properties of N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide?
N-[1-(4-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-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide is sourced from PubChem (CID 110820327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).