1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-methylazetidine-3-carboxamide

C15H26N4O2 — CID 67057849

IUPAC1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-methylazetidine-3-carboxamide
SMILESCNC(=O)C1CN(C(=O)N2CCCN(C3CCC3)CC2)C1
InChIInChI=1S/C15H26N4O2/c1-16-14(20)12-10-19(11-12)15(21)18-7-3-6-17(8-9-18)13-4-2-5-13/h12-13H,2-11H2,1H3,(H,16,20)
InChIKeyWVGJAYCHBKGUDY-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.34
Rot. Bonds2

About 1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-methylazetidine-3-carboxamide

1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-methylazetidine-3-carboxamide (PubChem CID 67057849) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-methylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-methylazetidine-3-carboxamide
PubChem CID67057849
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-methylazetidine-3-carboxamide
SMILESCNC(=O)C1CN(C(=O)N2CCCN(C3CCC3)CC2)C1
InChIInChI=1S/C15H26N4O2/c1-16-14(20)12-10-19(11-12)15(21)18-7-3-6-17(8-9-18)13-4-2-5-13/h12-13H,2-11H2,1H3,(H,16,20)
InChIKeyWVGJAYCHBKGUDY-UHFFFAOYSA-N
XLogP0.34
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidine-3-carboxamide
CID 67057839
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(piperidin-1-yl)methanone
CID 113234472
(4-cyclobutyl-1,4-diazepan-1-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 58243416
[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 58243437
(6R)-1-cyclohexyl-N,4-dimethyl-1,4-diazepane-6-carboxamide
CID 124990516
(6S)-1-(cyclobutanecarbonyl)-N-methyl-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
CID 124993939
(4-cyclopentylpiperazin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 121184728
(4-cyclobutyl-1,4-diazepan-1-yl)-[3-(4-methylphenoxy)azetidin-1-yl]methanone;ethane
CID 143888790
1-(4-hydroxycyclohexyl)-N-methylpiperidine-3-carboxamide
CID 103198801
1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carbonyl)piperidine-3-carboxylic acid
CID 63155393
4-chloro-N-[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]-N-methylbenzamide
CID 58243374
cyclobutyl-(4-cycloheptylpiperazin-1-yl)methanone
CID 113074947

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-methylazetidine-3-carboxamide?
The IUPAC name of 1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-methylazetidine-3-carboxamide (CID 67057849) is 1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-methylazetidine-3-carboxamide.
What is the SMILES notation for 1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-methylazetidine-3-carboxamide?
The canonical SMILES for 1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-methylazetidine-3-carboxamide is CNC(=O)C1CN(C(=O)N2CCCN(C3CCC3)CC2)C1.
What is the InChIKey of 1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-methylazetidine-3-carboxamide?
The InChIKey is WVGJAYCHBKGUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-16-14(20)12-10-19(11-12)15(21)18-7-3-6-17(8-9-18)13-4-2-5-13/h12-13H,2-11H2,1H3,(H,16,20).
What are the key properties of 1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-methylazetidine-3-carboxamide?
1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-methylazetidine-3-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-methylazetidine-3-carboxamide is sourced from PubChem (CID 67057849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).