(2R)-2-methyl-5-oxo-4-(3-piperidin-1-ylpropyl)-1,4-diazepane-1-carboxylic acid

C15H27N3O3 — CID 68536511

IUPAC(2R)-2-methyl-5-oxo-4-(3-piperidin-1-ylpropyl)-1,4-diazepane-1-carboxylic acid
SMILESC[C@@H]1CN(CCCN2CCCCC2)C(=O)CCN1C(=O)O
InChIInChI=1S/C15H27N3O3/c1-13-12-17(14(19)6-11-18(13)15(20)21)10-5-9-16-7-3-2-4-8-16/h13H,2-12H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyZSXQJPKPGHDXNC-CYBMUJFWSA-N
MW297.40 g/mol
LogP1.46
Rot. Bonds4

About (2R)-2-methyl-5-oxo-4-(3-piperidin-1-ylpropyl)-1,4-diazepane-1-carboxylic acid

(2R)-2-methyl-5-oxo-4-(3-piperidin-1-ylpropyl)-1,4-diazepane-1-carboxylic acid (PubChem CID 68536511) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is (2R)-2-methyl-5-oxo-4-(3-piperidin-1-ylpropyl)-1,4-diazepane-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-methyl-5-oxo-4-(3-piperidin-1-ylpropyl)-1,4-diazepane-1-carboxylic acid
PubChem CID68536511
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name(2R)-2-methyl-5-oxo-4-(3-piperidin-1-ylpropyl)-1,4-diazepane-1-carboxylic acid
SMILESC[C@@H]1CN(CCCN2CCCCC2)C(=O)CCN1C(=O)O
InChIInChI=1S/C15H27N3O3/c1-13-12-17(14(19)6-11-18(13)15(20)21)10-5-9-16-7-3-2-4-8-16/h13H,2-12H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyZSXQJPKPGHDXNC-CYBMUJFWSA-N
XLogP1.46
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-methyl-5-oxo-4-(3-piperidin-1-ylpropyl)-1,4-diazepane-1-carboxylic acid with MolForge

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Related Compounds

(3R)-5-oxo-1-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxylic acid
CID 29136485
(2R)-2-phenyl-4-(3-piperidin-1-ylpropyl)-1,4-diazepan-5-one
CID 142706599
1-[3-(azepan-1-yl)propyl]-4-ethenylpyrrolidin-2-one
CID 168685223
(2R)-N-(3-chlorophenyl)-4-[3-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]propyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
CID 59149894
1-(4-pyrrolidin-1-ylbutyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670896
1-[3-(azepan-1-yl)propyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718145
(2R)-2,4-dimethyl-5-oxopiperazine-1-carboxylic acid
CID 177212552
4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylic acid
CID 68651622
tert-butyl 6-methyl-5-oxo-4-(3-piperidin-1-ylpropyl)-1,4-diazepane-1-carboxylate
CID 67080770
tert-butyl 3-methyl-5-oxo-4-(3-piperidin-1-ylpropyl)piperazine-1-carboxylate
CID 66999542
S-[5-oxo-1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl] ethanethioate
CID 168706004
(5S)-5-methyl-1-(4-methylphenyl)-4-[4-(2-oxopiperidin-1-yl)butanoyl]piperazin-2-one
CID 96578839

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-5-oxo-4-(3-piperidin-1-ylpropyl)-1,4-diazepane-1-carboxylic acid?
The IUPAC name of (2R)-2-methyl-5-oxo-4-(3-piperidin-1-ylpropyl)-1,4-diazepane-1-carboxylic acid (CID 68536511) is (2R)-2-methyl-5-oxo-4-(3-piperidin-1-ylpropyl)-1,4-diazepane-1-carboxylic acid.
What is the SMILES notation for (2R)-2-methyl-5-oxo-4-(3-piperidin-1-ylpropyl)-1,4-diazepane-1-carboxylic acid?
The canonical SMILES for (2R)-2-methyl-5-oxo-4-(3-piperidin-1-ylpropyl)-1,4-diazepane-1-carboxylic acid is C[C@@H]1CN(CCCN2CCCCC2)C(=O)CCN1C(=O)O.
What is the InChIKey of (2R)-2-methyl-5-oxo-4-(3-piperidin-1-ylpropyl)-1,4-diazepane-1-carboxylic acid?
The InChIKey is ZSXQJPKPGHDXNC-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-13-12-17(14(19)6-11-18(13)15(20)21)10-5-9-16-7-3-2-4-8-16/h13H,2-12H2,1H3,(H,20,21)/t13-/m1/s1.
What are the key properties of (2R)-2-methyl-5-oxo-4-(3-piperidin-1-ylpropyl)-1,4-diazepane-1-carboxylic acid?
(2R)-2-methyl-5-oxo-4-(3-piperidin-1-ylpropyl)-1,4-diazepane-1-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-5-oxo-4-(3-piperidin-1-ylpropyl)-1,4-diazepane-1-carboxylic acid is sourced from PubChem (CID 68536511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).