N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]acetamide

C16H27N3O3 — CID 166367740

IUPACN-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]acetamide
SMILESCCN1CC(C(=O)N2CCCCC(NC(C)=O)C2)CCC1=O
InChIInChI=1S/C16H27N3O3/c1-3-18-10-13(7-8-15(18)21)16(22)19-9-5-4-6-14(11-19)17-12(2)20/h13-14H,3-11H2,1-2H3,(H,17,20)
InChIKeyJPVHEXVNCBCAAT-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.76
Rot. Bonds3

About N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]acetamide

N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]acetamide (PubChem CID 166367740) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]acetamide
PubChem CID166367740
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC NameN-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]acetamide
SMILESCCN1CC(C(=O)N2CCCCC(NC(C)=O)C2)CCC1=O
InChIInChI=1S/C16H27N3O3/c1-3-18-10-13(7-8-15(18)21)16(22)19-9-5-4-6-14(11-19)17-12(2)20/h13-14H,3-11H2,1-2H3,(H,17,20)
InChIKeyJPVHEXVNCBCAAT-UHFFFAOYSA-N
XLogP0.76
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]-3-methylbut-2-enamide
CID 166367772
1-N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azocan-3-yl]cyclohexane-1,3-dicarboxamide
CID 166367766
2-N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]-1H-pyrrole-2,5-dicarboxamide
CID 167764244
2-amino-N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]-3-methylbenzamide
CID 166367677
N-[(3S)-1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]-4-methoxy-3-methylbenzamide
CID 167921294
(5R)-1-(cyclohexylmethyl)-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]piperidin-2-one
CID 25447256
5-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-1-ethylpiperidin-2-one
CID 70755456
(5R)-1-ethyl-5-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidin-2-one
CID 97136809
N-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]acetamide;hydrochloride
CID 119722344
cyclohexyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475779
1-(cyclohexylmethyl)-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one
CID 45242721
trans-(1S,2S)-2-[(3R)-3-acetamidopiperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 93378578

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]acetamide?
The IUPAC name of N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]acetamide (CID 166367740) is N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]acetamide.
What is the SMILES notation for N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]acetamide?
The canonical SMILES for N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]acetamide is CCN1CC(C(=O)N2CCCCC(NC(C)=O)C2)CCC1=O.
What is the InChIKey of N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]acetamide?
The InChIKey is JPVHEXVNCBCAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-3-18-10-13(7-8-15(18)21)16(22)19-9-5-4-6-14(11-19)17-12(2)20/h13-14H,3-11H2,1-2H3,(H,17,20).
What are the key properties of N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]acetamide?
N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]acetamide has a molecular weight of 309.41 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]acetamide is sourced from PubChem (CID 166367740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).