2-[1-(aminomethyl)cyclobutyl]-N-(1-ethylpiperidin-4-yl)-N-methylacetamide

C15H29N3O — CID 81179607

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-(1-ethylpiperidin-4-yl)-N-methylacetamide
SMILESCCN1CCC(N(C)C(=O)CC2(CN)CCC2)CC1
InChIInChI=1S/C15H29N3O/c1-3-18-9-5-13(6-10-18)17(2)14(19)11-15(12-16)7-4-8-15/h13H,3-12,16H2,1-2H3
InChIKeyDDCNUQXPGFQUSN-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.45
Rot. Bonds5

About 2-[1-(aminomethyl)cyclobutyl]-N-(1-ethylpiperidin-4-yl)-N-methylacetamide

2-[1-(aminomethyl)cyclobutyl]-N-(1-ethylpiperidin-4-yl)-N-methylacetamide (PubChem CID 81179607) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-(1-ethylpiperidin-4-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-(1-ethylpiperidin-4-yl)-N-methylacetamide
PubChem CID81179607
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-(1-ethylpiperidin-4-yl)-N-methylacetamide
SMILESCCN1CCC(N(C)C(=O)CC2(CN)CCC2)CC1
InChIInChI=1S/C15H29N3O/c1-3-18-9-5-13(6-10-18)17(2)14(19)11-15(12-16)7-4-8-15/h13H,3-12,16H2,1-2H3
InChIKeyDDCNUQXPGFQUSN-UHFFFAOYSA-N
XLogP1.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-cyclopentyl-N-methylacetamide
CID 113440139
1-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43578322
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(oxan-4-yl)acetamide
CID 104677648
N-(1-ethylpiperidin-4-yl)-N-methylpropanamide
CID 60724468
2-[1-(aminomethyl)cyclobutyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide
CID 81179908
4-[(1-ethylpiperidin-4-yl)-methylamino]-4-oxobutanoic acid
CID 43578327
2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethoxy]acetic acid
CID 61326862
2-[1-(aminomethyl)cyclobutyl]-1-[4-(diethylamino)piperidin-1-yl]ethanone
CID 81172458
2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 81169351
N-(1-ethylpiperidin-4-yl)-N-methyl-2-piperidin-2-ylacetamide
CID 55002831
2-[1-(aminomethyl)cyclobutyl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 104551782
3-(4-aminocyclohexyl)-N-(1-ethylpiperidin-4-yl)-N-methylpropanamide
CID 62782861

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(1-ethylpiperidin-4-yl)-N-methylacetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(1-ethylpiperidin-4-yl)-N-methylacetamide (CID 81179607) is 2-[1-(aminomethyl)cyclobutyl]-N-(1-ethylpiperidin-4-yl)-N-methylacetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-(1-ethylpiperidin-4-yl)-N-methylacetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-(1-ethylpiperidin-4-yl)-N-methylacetamide is CCN1CCC(N(C)C(=O)CC2(CN)CCC2)CC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-(1-ethylpiperidin-4-yl)-N-methylacetamide?
The InChIKey is DDCNUQXPGFQUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-3-18-9-5-13(6-10-18)17(2)14(19)11-15(12-16)7-4-8-15/h13H,3-12,16H2,1-2H3.
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-(1-ethylpiperidin-4-yl)-N-methylacetamide?
2-[1-(aminomethyl)cyclobutyl]-N-(1-ethylpiperidin-4-yl)-N-methylacetamide has a molecular weight of 267.42 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-(1-ethylpiperidin-4-yl)-N-methylacetamide is sourced from PubChem (CID 81179607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).