3-amino-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide

C12H23N3O — CID 115161473

IUPAC3-amino-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide
SMILESCN1CCCC(N(C)C(=O)C2CC(N)C2)C1
InChIInChI=1S/C12H23N3O/c1-14-5-3-4-11(8-14)15(2)12(16)9-6-10(13)7-9/h9-11H,3-8,13H2,1-2H3
InChIKeyOIYRNFHEEHDVDL-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.28
Rot. Bonds2

About 3-amino-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide

3-amino-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide (PubChem CID 115161473) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide
PubChem CID115161473
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-amino-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide
SMILESCN1CCCC(N(C)C(=O)C2CC(N)C2)C1
InChIInChI=1S/C12H23N3O/c1-14-5-3-4-11(8-14)15(2)12(16)9-6-10(13)7-9/h9-11H,3-8,13H2,1-2H3
InChIKeyOIYRNFHEEHDVDL-UHFFFAOYSA-N
XLogP0.28
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-N-(1-methylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 64824632
1-methyl-1-(1-methylpiperidin-3-yl)urea
CID 62546065
2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide
CID 66565804
N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-1-prop-2-enoylazetidine-3-carboxamide
CID 167892342
4-amino-N-methyl-N-(1-methylpiperidin-3-yl)oxolane-3-carboxamide
CID 66235269
2-[methyl-(1-methylpiperidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978705
N-methyl-N-(1-methylpiperidin-3-yl)-2-oxopropanamide
CID 115175567
N-methyl-N-(1-methylpiperidin-3-yl)pyrrolidine-2-carboxamide
CID 62546250
(3S)-N-cyclohexyl-N,1-dimethylpyrrolidine-3-carboxamide
CID 134459471
(3R)-N-cyclohexyl-N,1-dimethylpyrrolidine-3-carboxamide
CID 134459454
4-(aminomethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 115151057
(2R)-N-methyl-N-(1-methylpiperidin-3-yl)piperidine-2-carboxamide
CID 104913856

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide (CID 115161473) is 3-amino-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide is CN1CCCC(N(C)C(=O)C2CC(N)C2)C1.
What is the InChIKey of 3-amino-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide?
The InChIKey is OIYRNFHEEHDVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-14-5-3-4-11(8-14)15(2)12(16)9-6-10(13)7-9/h9-11H,3-8,13H2,1-2H3.
What are the key properties of 3-amino-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide?
3-amino-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide has a molecular weight of 225.34 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 115161473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).