1-benzyl-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide

C18H26N2O — CID 120557779

IUPAC1-benzyl-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide
SMILESCC1CNCCC1NC(=O)C1(Cc2ccccc2)CCC1
InChIInChI=1S/C18H26N2O/c1-14-13-19-11-8-16(14)20-17(21)18(9-5-10-18)12-15-6-3-2-4-7-15/h2-4,6-7,14,16,19H,5,8-13H2,1H3,(H,20,21)
InChIKeyCXZAIIQQSVJXSX-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.51
Rot. Bonds4

About 1-benzyl-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide

1-benzyl-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide (PubChem CID 120557779) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-benzyl-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide
PubChem CID120557779
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-benzyl-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide
SMILESCC1CNCCC1NC(=O)C1(Cc2ccccc2)CCC1
InChIInChI=1S/C18H26N2O/c1-14-13-19-11-8-16(14)20-17(21)18(9-5-10-18)12-15-6-3-2-4-7-15/h2-4,6-7,14,16,19H,5,8-13H2,1H3,(H,20,21)
InChIKeyCXZAIIQQSVJXSX-UHFFFAOYSA-N
XLogP2.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778
N-(3-methylpiperidin-4-yl)-1-phenylcyclopentane-1-carboxamide
CID 120555936
N-(3-methylpiperidin-4-yl)-1-phenylcyclopropane-1-carboxamide
CID 120555297
1-(benzylcarbamoylamino)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 120557905
1-benzyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide
CID 71919724
1-benzyl-N-methyl-N-pyrrolidin-3-ylcyclobutane-1-carboxamide;hydrochloride
CID 119554243
1-methyl-N-(3-methylpiperidin-4-yl)-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 120557540
N-(3-methylpiperidin-4-yl)-3-phenylmethoxypropanamide
CID 120554516
1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 120947067
1-(3-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 120555475
1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 120553584
1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 120553378

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-benzyl-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide (CID 120557779) is 1-benzyl-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-benzyl-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-benzyl-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide is CC1CNCCC1NC(=O)C1(Cc2ccccc2)CCC1.
What is the InChIKey of 1-benzyl-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide?
The InChIKey is CXZAIIQQSVJXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14-13-19-11-8-16(14)20-17(21)18(9-5-10-18)12-15-6-3-2-4-7-15/h2-4,6-7,14,16,19H,5,8-13H2,1H3,(H,20,21).
What are the key properties of 1-benzyl-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide?
1-benzyl-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 120557779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).