1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide

C14H25N3O2 — CID 110098556

IUPAC1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide
SMILESCC(=O)N1CCN(C2CCCCC2)CC(C(N)=O)C1
InChIInChI=1S/C14H25N3O2/c1-11(18)16-7-8-17(10-12(9-16)14(15)19)13-5-3-2-4-6-13/h12-13H,2-10H2,1H3,(H2,15,19)
InChIKeyKDLDHLQZTSSYJT-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.58
Rot. Bonds2

About 1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide

1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide (PubChem CID 110098556) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound Name1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide
PubChem CID110098556
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide
SMILESCC(=O)N1CCN(C2CCCCC2)CC(C(N)=O)C1
InChIInChI=1S/C14H25N3O2/c1-11(18)16-7-8-17(10-12(9-16)14(15)19)13-5-3-2-4-6-13/h12-13H,2-10H2,1H3,(H2,15,19)
InChIKeyKDLDHLQZTSSYJT-UHFFFAOYSA-N
XLogP0.58
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide
CID 124972494
1-(4-cyclopentylpiperazin-1-yl)ethanone;ethane
CID 143413632
1-cyclohexylpyrrolidine-3-carboxamide;hydrochloride
CID 67294203
1-acetyl-4-(2-cyclopropylacetyl)-1,4-diazepane-6-carboxamide
CID 110098430
(2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxamide
CID 95240709
4-cyclopentylpiperazine-1-carboxamide
CID 57205906
1-(1-cycloheptylpiperidin-3-yl)ethanone
CID 82926630
4-(4-acetyl-6-carbamoyl-1,4-diazepan-1-yl)-4-oxobutanoic acid
CID 110107410
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 78942270
1-[2-(4-cyclobutyl-1,4-diazepan-1-yl)-2-oxoethyl]azetidine-3-carboxamide
CID 123313839
4-cyclobutylpiperazine-1-carboxamide
CID 53426578
cyclobutyl-(4-cycloheptylpiperazin-1-yl)methanone
CID 113074947

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide?
The IUPAC name of 1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide (CID 110098556) is 1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide.
What is the SMILES notation for 1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide?
The canonical SMILES for 1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide is CC(=O)N1CCN(C2CCCCC2)CC(C(N)=O)C1.
What is the InChIKey of 1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide?
The InChIKey is KDLDHLQZTSSYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-11(18)16-7-8-17(10-12(9-16)14(15)19)13-5-3-2-4-6-13/h12-13H,2-10H2,1H3,(H2,15,19).
What are the key properties of 1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide?
1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 110098556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).