1-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)cyclobutane-1-carboxamide

C12H22N2O2 — CID 115183966

IUPAC1-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)cyclobutane-1-carboxamide
SMILESCN1CCC(NC(=O)C2(CO)CCC2)CC1
InChIInChI=1S/C12H22N2O2/c1-14-7-3-10(4-8-14)13-11(16)12(9-15)5-2-6-12/h10,15H,2-9H2,1H3,(H,13,16)
InChIKeyJVKGSGSMTNUQAM-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.36
Rot. Bonds3

About 1-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)cyclobutane-1-carboxamide

1-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)cyclobutane-1-carboxamide (PubChem CID 115183966) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)cyclobutane-1-carboxamide
PubChem CID115183966
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)cyclobutane-1-carboxamide
SMILESCN1CCC(NC(=O)C2(CO)CCC2)CC1
InChIInChI=1S/C12H22N2O2/c1-14-7-3-10(4-8-14)13-11(16)12(9-15)5-2-6-12/h10,15H,2-9H2,1H3,(H,13,16)
InChIKeyJVKGSGSMTNUQAM-UHFFFAOYSA-N
XLogP0.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(hydroxymethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 115184095
1-(hydroxymethyl)-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 115182298
2-amino-1-methyl-N-(1-methylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 82763899
3-[(1-methylpiperidin-4-yl)carbamoyl]oxetane-3-carboxylic acid
CID 115184923
methyl 1-[(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylate
CID 116929765
2-[(1-methylpiperidin-4-yl)amino]-2-oxoacetic acid
CID 43444893
1-(aminomethyl)-N-(1-ethylpiperidin-4-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119831826
N-cyclopentyl-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971761
1-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-4-yl)cycloheptane-1-carboxamide
CID 76919669
2-[1-(methylamino)cyclohexyl]-N-(1-methylpiperidin-4-yl)acetamide
CID 65240925
N-cyclobutyl-1-ethylcyclopropane-1-carboxamide
CID 130693550
N-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 18723341

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)cyclobutane-1-carboxamide (CID 115183966) is 1-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)cyclobutane-1-carboxamide is CN1CCC(NC(=O)C2(CO)CCC2)CC1.
What is the InChIKey of 1-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)cyclobutane-1-carboxamide?
The InChIKey is JVKGSGSMTNUQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-14-7-3-10(4-8-14)13-11(16)12(9-15)5-2-6-12/h10,15H,2-9H2,1H3,(H,13,16).
What are the key properties of 1-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)cyclobutane-1-carboxamide?
1-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)cyclobutane-1-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 115183966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).