1-acetyl-4-(2-cyclopropylacetyl)-1,4-diazepane-6-carboxamide

C13H21N3O3 — CID 110098430

IUPAC1-acetyl-4-(2-cyclopropylacetyl)-1,4-diazepane-6-carboxamide
SMILESCC(=O)N1CCN(C(=O)CC2CC2)CC(C(N)=O)C1
InChIInChI=1S/C13H21N3O3/c1-9(17)15-4-5-16(8-11(7-15)13(14)19)12(18)6-10-2-3-10/h10-11H,2-8H2,1H3,(H2,14,19)
InChIKeyLFZNEQBMOZNRLB-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.42
Rot. Bonds3

About 1-acetyl-4-(2-cyclopropylacetyl)-1,4-diazepane-6-carboxamide

1-acetyl-4-(2-cyclopropylacetyl)-1,4-diazepane-6-carboxamide (PubChem CID 110098430) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-acetyl-4-(2-cyclopropylacetyl)-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound Name1-acetyl-4-(2-cyclopropylacetyl)-1,4-diazepane-6-carboxamide
PubChem CID110098430
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name1-acetyl-4-(2-cyclopropylacetyl)-1,4-diazepane-6-carboxamide
SMILESCC(=O)N1CCN(C(=O)CC2CC2)CC(C(N)=O)C1
InChIInChI=1S/C13H21N3O3/c1-9(17)15-4-5-16(8-11(7-15)13(14)19)12(18)6-10-2-3-10/h10-11H,2-8H2,1H3,(H2,14,19)
InChIKeyLFZNEQBMOZNRLB-UHFFFAOYSA-N
XLogP-0.42
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-acetyl-6-carbamoyl-1,4-diazepan-1-yl)-4-oxobutanoic acid
CID 110107410
1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide
CID 110098556
(6S)-1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide
CID 124972494
1-(2-cyclopropylacetyl)pyrrolidine-3-carboxylic acid
CID 63007289
(3S)-1-[2-(thietan-3-yl)acetyl]piperidine-3-carboxamide
CID 172908529
1-acetyl-4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-6-carboxamide
CID 127245309
(6S)-1-acetyl-4-(2-imidazol-1-ylacetyl)-1,4-diazepane-6-carboxamide
CID 125003753
1-(2-cyclobutylacetyl)piperidine-3-carbothioamide
CID 103163717
ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
CID 43424044
1-[1-(2-cyclohexylacetyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121154006
(6R)-1-acetyl-4-[3-(2-fluorophenyl)propanoyl]-1,4-diazepane-6-carboxamide
CID 124982435
2-(4-aminocyclohexyl)-1-piperidin-1-ylethanone;hydrochloride
CID 165412274

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-(2-cyclopropylacetyl)-1,4-diazepane-6-carboxamide?
The IUPAC name of 1-acetyl-4-(2-cyclopropylacetyl)-1,4-diazepane-6-carboxamide (CID 110098430) is 1-acetyl-4-(2-cyclopropylacetyl)-1,4-diazepane-6-carboxamide.
What is the SMILES notation for 1-acetyl-4-(2-cyclopropylacetyl)-1,4-diazepane-6-carboxamide?
The canonical SMILES for 1-acetyl-4-(2-cyclopropylacetyl)-1,4-diazepane-6-carboxamide is CC(=O)N1CCN(C(=O)CC2CC2)CC(C(N)=O)C1.
What is the InChIKey of 1-acetyl-4-(2-cyclopropylacetyl)-1,4-diazepane-6-carboxamide?
The InChIKey is LFZNEQBMOZNRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(17)15-4-5-16(8-11(7-15)13(14)19)12(18)6-10-2-3-10/h10-11H,2-8H2,1H3,(H2,14,19).
What are the key properties of 1-acetyl-4-(2-cyclopropylacetyl)-1,4-diazepane-6-carboxamide?
1-acetyl-4-(2-cyclopropylacetyl)-1,4-diazepane-6-carboxamide has a molecular weight of 267.33 g/mol, XLogP of -0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-(2-cyclopropylacetyl)-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 110098430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).