(6R)-1-acetyl-4-(cyclopentanecarbonyl)-N-methyl-1,4-diazepane-6-carboxamide

C15H25N3O3 — CID 124995488

IUPAC(6R)-1-acetyl-4-(cyclopentanecarbonyl)-N-methyl-1,4-diazepane-6-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(C)=O)CCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C15H25N3O3/c1-11(19)17-7-8-18(10-13(9-17)14(20)16-2)15(21)12-5-3-4-6-12/h12-13H,3-10H2,1-2H3,(H,16,20)/t13-/m1/s1
InChIKeyQMOMELIVIUUFPZ-CYBMUJFWSA-N
MW295.38 g/mol
LogP0.23
Rot. Bonds2

About (6R)-1-acetyl-4-(cyclopentanecarbonyl)-N-methyl-1,4-diazepane-6-carboxamide

(6R)-1-acetyl-4-(cyclopentanecarbonyl)-N-methyl-1,4-diazepane-6-carboxamide (PubChem CID 124995488) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is (6R)-1-acetyl-4-(cyclopentanecarbonyl)-N-methyl-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound Name(6R)-1-acetyl-4-(cyclopentanecarbonyl)-N-methyl-1,4-diazepane-6-carboxamide
PubChem CID124995488
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name(6R)-1-acetyl-4-(cyclopentanecarbonyl)-N-methyl-1,4-diazepane-6-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(C)=O)CCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C15H25N3O3/c1-11(19)17-7-8-18(10-13(9-17)14(20)16-2)15(21)12-5-3-4-6-12/h12-13H,3-10H2,1-2H3,(H,16,20)/t13-/m1/s1
InChIKeyQMOMELIVIUUFPZ-CYBMUJFWSA-N
XLogP0.23
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane
CID 171808100
(6S)-1-(cyclobutanecarbonyl)-N-methyl-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
CID 124993939
1-[4-(1-acetylpiperidine-3-carbonyl)piperazin-1-yl]ethanone
CID 110686076
(6S)-1-acetyl-4-[2-(azepan-1-yl)acetyl]-N-methyl-1,4-diazepane-6-carboxamide
CID 124974127
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
1-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanone
CID 129355291
1-(4,4-difluorocyclohexanecarbonyl)-N,4-dimethyl-1,4-diazepane-6-carboxamide
CID 110098458
(6R)-1-(4,4-difluorocyclohexanecarbonyl)-N,4-dimethyl-1,4-diazepane-6-carboxamide
CID 124973963
cyclohexyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475779
3-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 103551311
1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
1-(1-acetylpiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 43170987

Frequently Asked Questions

What is the IUPAC name of (6R)-1-acetyl-4-(cyclopentanecarbonyl)-N-methyl-1,4-diazepane-6-carboxamide?
The IUPAC name of (6R)-1-acetyl-4-(cyclopentanecarbonyl)-N-methyl-1,4-diazepane-6-carboxamide (CID 124995488) is (6R)-1-acetyl-4-(cyclopentanecarbonyl)-N-methyl-1,4-diazepane-6-carboxamide.
What is the SMILES notation for (6R)-1-acetyl-4-(cyclopentanecarbonyl)-N-methyl-1,4-diazepane-6-carboxamide?
The canonical SMILES for (6R)-1-acetyl-4-(cyclopentanecarbonyl)-N-methyl-1,4-diazepane-6-carboxamide is CNC(=O)[C@@H]1CN(C(C)=O)CCN(C(=O)C2CCCC2)C1.
What is the InChIKey of (6R)-1-acetyl-4-(cyclopentanecarbonyl)-N-methyl-1,4-diazepane-6-carboxamide?
The InChIKey is QMOMELIVIUUFPZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-11(19)17-7-8-18(10-13(9-17)14(20)16-2)15(21)12-5-3-4-6-12/h12-13H,3-10H2,1-2H3,(H,16,20)/t13-/m1/s1.
What are the key properties of (6R)-1-acetyl-4-(cyclopentanecarbonyl)-N-methyl-1,4-diazepane-6-carboxamide?
(6R)-1-acetyl-4-(cyclopentanecarbonyl)-N-methyl-1,4-diazepane-6-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-acetyl-4-(cyclopentanecarbonyl)-N-methyl-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 124995488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).