2-[butyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone

C13H26N2O — CID 109006116

IUPAC2-[butyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCCCCN(C)CC(=O)N1CCCC(C)C1
InChIInChI=1S/C13H26N2O/c1-4-5-8-14(3)11-13(16)15-9-6-7-12(2)10-15/h12H,4-11H2,1-3H3
InChIKeyPPHDIPMZSFSQGT-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.98
Rot. Bonds5

About 2-[butyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone

2-[butyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 109006116) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID109006116
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-[butyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCCCCN(C)CC(=O)N1CCCC(C)C1
InChIInChI=1S/C13H26N2O/c1-4-5-8-14(3)11-13(16)15-9-6-7-12(2)10-15/h12H,4-11H2,1-3H3
InChIKeyPPHDIPMZSFSQGT-UHFFFAOYSA-N
XLogP1.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-hydroxypentyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 107203920
2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 131045839
methyl 2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate
CID 60698117
N-butyl-N-methyl-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523010
N-(2-aminoethyl)-N-butyl-3-methylpiperidine-1-carboxamide
CID 79162694
methyl N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]carbamate
CID 94152272
3-[ethyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
CID 54899890
N-butyl-N-methyl-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109140123
1-(3-methylpiperidin-1-yl)-2-(pentylamino)ethanone
CID 109005936
2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
CID 55096796
4-[[methyl-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]methyl]benzonitrile
CID 94104022
2-[methyl(4-methylsulfanylbutan-2-yl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 71911978

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[butyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone (CID 109006116) is 2-[butyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[butyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[butyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone is CCCCN(C)CC(=O)N1CCCC(C)C1.
What is the InChIKey of 2-[butyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is PPHDIPMZSFSQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-5-8-14(3)11-13(16)15-9-6-7-12(2)10-15/h12H,4-11H2,1-3H3.
What are the key properties of 2-[butyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone?
2-[butyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 226.36 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 109006116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).