1-methyl-7-(4-propan-2-ylpiperazine-1-carbonyl)azepan-2-one

C15H27N3O2 — CID 110196293

IUPAC1-methyl-7-(4-propan-2-ylpiperazine-1-carbonyl)azepan-2-one
SMILESCC(C)N1CCN(C(=O)C2CCCCC(=O)N2C)CC1
InChIInChI=1S/C15H27N3O2/c1-12(2)17-8-10-18(11-9-17)15(20)13-6-4-5-7-14(19)16(13)3/h12-13H,4-11H2,1-3H3
InChIKeyKABHQCAAWRFCGH-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.94
Rot. Bonds2

About 1-methyl-7-(4-propan-2-ylpiperazine-1-carbonyl)azepan-2-one

1-methyl-7-(4-propan-2-ylpiperazine-1-carbonyl)azepan-2-one (PubChem CID 110196293) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-methyl-7-(4-propan-2-ylpiperazine-1-carbonyl)azepan-2-one.

Molecular Properties

Compound Name1-methyl-7-(4-propan-2-ylpiperazine-1-carbonyl)azepan-2-one
PubChem CID110196293
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-methyl-7-(4-propan-2-ylpiperazine-1-carbonyl)azepan-2-one
SMILESCC(C)N1CCN(C(=O)C2CCCCC(=O)N2C)CC1
InChIInChI=1S/C15H27N3O2/c1-12(2)17-8-10-18(11-9-17)15(20)13-6-4-5-7-14(19)16(13)3/h12-13H,4-11H2,1-3H3
InChIKeyKABHQCAAWRFCGH-UHFFFAOYSA-N
XLogP0.94
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-((S)-2-aminobutanoyl)-N-butylazepane-2-carboxamide
CID 44421592
2,3,4,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-6-one
CID 15716841
N,N-diethyl-1-methylpiperidine-2-carboxamide
CID 68265026
1-Octanoylpiperidine-2-carboxamide
CID 162646892
1-(2-Oxo-2-piperidin-1-ylethyl)azepan-2-one
CID 40230893
N-cyclohexyl-1-methyl-7-oxoazepane-2-carboxamide
CID 110196273
1-methyl-7-oxo-N-(2-piperidin-1-ylethyl)azepane-2-carboxamide
CID 110196285
1-Methyl-7-(1-pyrrolidinylcarbonyl)-2-azepanone
CID 110196294
N,N-diethyl-1-methyl-7-oxoazepane-2-carboxamide
CID 110196295
1-Methyl-7-(piperidine-1-carbonyl)azepan-2-one
CID 110196296
1-Methyl-7-(morpholinocarbonyl)-2-azepanone
CID 110196297
7-(4-Methylpiperazine-1-carbonyl)azepan-2-one
CID 110196300

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-(4-propan-2-ylpiperazine-1-carbonyl)azepan-2-one?
The IUPAC name of 1-methyl-7-(4-propan-2-ylpiperazine-1-carbonyl)azepan-2-one (CID 110196293) is 1-methyl-7-(4-propan-2-ylpiperazine-1-carbonyl)azepan-2-one.
What is the SMILES notation for 1-methyl-7-(4-propan-2-ylpiperazine-1-carbonyl)azepan-2-one?
The canonical SMILES for 1-methyl-7-(4-propan-2-ylpiperazine-1-carbonyl)azepan-2-one is CC(C)N1CCN(C(=O)C2CCCCC(=O)N2C)CC1.
What is the InChIKey of 1-methyl-7-(4-propan-2-ylpiperazine-1-carbonyl)azepan-2-one?
The InChIKey is KABHQCAAWRFCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-12(2)17-8-10-18(11-9-17)15(20)13-6-4-5-7-14(19)16(13)3/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-methyl-7-(4-propan-2-ylpiperazine-1-carbonyl)azepan-2-one?
1-methyl-7-(4-propan-2-ylpiperazine-1-carbonyl)azepan-2-one has a molecular weight of 281.40 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-(4-propan-2-ylpiperazine-1-carbonyl)azepan-2-one is sourced from PubChem (CID 110196293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).