1-(azepan-1-yl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone

C15H29N3O — CID 115304923

IUPAC1-(azepan-1-yl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
SMILESCNC1(C)CCN(CC(=O)N2CCCCCC2)CC1
InChIInChI=1S/C15H29N3O/c1-15(16-2)7-11-17(12-8-15)13-14(19)18-9-5-3-4-6-10-18/h16H,3-13H2,1-2H3
InChIKeySIBRGKVXUOADTJ-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.46
Rot. Bonds3

About 1-(azepan-1-yl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone

1-(azepan-1-yl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone (PubChem CID 115304923) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
PubChem CID115304923
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-(azepan-1-yl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
SMILESCNC1(C)CCN(CC(=O)N2CCCCCC2)CC1
InChIInChI=1S/C15H29N3O/c1-15(16-2)7-11-17(12-8-15)13-14(19)18-9-5-3-4-6-10-18/h16H,3-13H2,1-2H3
InChIKeySIBRGKVXUOADTJ-UHFFFAOYSA-N
XLogP1.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1-(azepan-1-yl)ethanone
CID 107160703
4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-4-carbothioamide
CID 107161559
1-(azetidin-1-yl)-2-pyrrolidin-1-ylethanone
CID 91265703
2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 130618835
1-(azocan-1-yl)-2-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115873988
2-cyclopentyl-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 115304327
2-cyclobutyl-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 103165081
N,4-dimethyl-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 115305084
methane;nonakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
CID 157103397
2-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone
CID 110114196
1,3-bis(azepan-1-yl)propane-1,3-dione
CID 108952660
2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 14226088

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone (CID 115304923) is 1-(azepan-1-yl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone is CNC1(C)CCN(CC(=O)N2CCCCCC2)CC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone?
The InChIKey is SIBRGKVXUOADTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-15(16-2)7-11-17(12-8-15)13-14(19)18-9-5-3-4-6-10-18/h16H,3-13H2,1-2H3.
What are the key properties of 1-(azepan-1-yl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone?
1-(azepan-1-yl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone has a molecular weight of 267.42 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 115304923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).