1-(4-acetyl-1,4-diazepan-1-yl)-2-(3-aminocyclohexyl)ethanone

C15H27N3O2 — CID 62782273

IUPAC1-(4-acetyl-1,4-diazepan-1-yl)-2-(3-aminocyclohexyl)ethanone
SMILESCC(=O)N1CCCN(C(=O)CC2CCCC(N)C2)CC1
InChIInChI=1S/C15H27N3O2/c1-12(19)17-6-3-7-18(9-8-17)15(20)11-13-4-2-5-14(16)10-13/h13-14H,2-11,16H2,1H3
InChIKeyMYPQASKPTFBMAZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.97
Rot. Bonds2

About 1-(4-acetyl-1,4-diazepan-1-yl)-2-(3-aminocyclohexyl)ethanone

1-(4-acetyl-1,4-diazepan-1-yl)-2-(3-aminocyclohexyl)ethanone (PubChem CID 62782273) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(4-acetyl-1,4-diazepan-1-yl)-2-(3-aminocyclohexyl)ethanone.

Molecular Properties

Compound Name1-(4-acetyl-1,4-diazepan-1-yl)-2-(3-aminocyclohexyl)ethanone
PubChem CID62782273
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-(4-acetyl-1,4-diazepan-1-yl)-2-(3-aminocyclohexyl)ethanone
SMILESCC(=O)N1CCCN(C(=O)CC2CCCC(N)C2)CC1
InChIInChI=1S/C15H27N3O2/c1-12(19)17-6-3-7-18(9-8-17)15(20)11-13-4-2-5-14(16)10-13/h13-14H,2-11,16H2,1H3
InChIKeyMYPQASKPTFBMAZ-UHFFFAOYSA-N
XLogP0.97
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetyl-1,4-diazepan-1-yl)-3-(3-aminocyclohexyl)propan-1-one
CID 80694908
2-(3-aminocyclohexyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 62781702
2-(3-aminocyclohexyl)-1-(4-propylpiperidin-1-yl)ethanone
CID 55116567
2-(3-aminocyclohexyl)-1-(2,2-dimethylmorpholin-4-yl)ethanone
CID 62781870
1-(4-acetyl-1,4-diazepan-1-yl)-2-(8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 79610796
2-(3-aminocyclohexyl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone
CID 102746252
2-(3-aminocyclohexyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 62776851
2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone
CID 103706244
1-[4-[(1S,3R)-3-aminocyclohexyl]piperazin-1-yl]ethanone
CID 169448440
2-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone;hydrochloride
CID 119735026
1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399092
1-(4-acetyl-1,4-diazepan-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride
CID 119399355

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetyl-1,4-diazepan-1-yl)-2-(3-aminocyclohexyl)ethanone?
The IUPAC name of 1-(4-acetyl-1,4-diazepan-1-yl)-2-(3-aminocyclohexyl)ethanone (CID 62782273) is 1-(4-acetyl-1,4-diazepan-1-yl)-2-(3-aminocyclohexyl)ethanone.
What is the SMILES notation for 1-(4-acetyl-1,4-diazepan-1-yl)-2-(3-aminocyclohexyl)ethanone?
The canonical SMILES for 1-(4-acetyl-1,4-diazepan-1-yl)-2-(3-aminocyclohexyl)ethanone is CC(=O)N1CCCN(C(=O)CC2CCCC(N)C2)CC1.
What is the InChIKey of 1-(4-acetyl-1,4-diazepan-1-yl)-2-(3-aminocyclohexyl)ethanone?
The InChIKey is MYPQASKPTFBMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-12(19)17-6-3-7-18(9-8-17)15(20)11-13-4-2-5-14(16)10-13/h13-14H,2-11,16H2,1H3.
What are the key properties of 1-(4-acetyl-1,4-diazepan-1-yl)-2-(3-aminocyclohexyl)ethanone?
1-(4-acetyl-1,4-diazepan-1-yl)-2-(3-aminocyclohexyl)ethanone has a molecular weight of 281.40 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetyl-1,4-diazepan-1-yl)-2-(3-aminocyclohexyl)ethanone is sourced from PubChem (CID 62782273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).