1-[(2-methylcycloheptyl)carbamoyl]-5-oxopiperazine-2-carboxylic acid

C14H23N3O4 — CID 107438930

IUPAC1-[(2-methylcycloheptyl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
SMILESCC1CCCCCC1NC(=O)N1CC(=O)NCC1C(=O)O
InChIInChI=1S/C14H23N3O4/c1-9-5-3-2-4-6-10(9)16-14(21)17-8-12(18)15-7-11(17)13(19)20/h9-11H,2-8H2,1H3,(H,15,18)(H,16,21)(H,19,20)
InChIKeyCRLVHVIZVJIAHZ-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.55
Rot. Bonds2

About 1-[(2-methylcycloheptyl)carbamoyl]-5-oxopiperazine-2-carboxylic acid

1-[(2-methylcycloheptyl)carbamoyl]-5-oxopiperazine-2-carboxylic acid (PubChem CID 107438930) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[(2-methylcycloheptyl)carbamoyl]-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylcycloheptyl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
PubChem CID107438930
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name1-[(2-methylcycloheptyl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
SMILESCC1CCCCCC1NC(=O)N1CC(=O)NCC1C(=O)O
InChIInChI=1S/C14H23N3O4/c1-9-5-3-2-4-6-10(9)16-14(21)17-8-12(18)15-7-11(17)13(19)20/h9-11H,2-8H2,1H3,(H,15,18)(H,16,21)(H,19,20)
InChIKeyCRLVHVIZVJIAHZ-UHFFFAOYSA-N
XLogP0.55
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
CID 107435082
1-[(2,2-dimethylcyclohexyl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107439003
1-[(2,6-dioxopiperidin-3-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107438943
(2R,4R)-4-hydroxy-1-[(2-methylcycloheptyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79013678
1-(2-cyclopropylpropan-2-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
CID 114111615
1-(cyclopropanecarbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432929
1-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107439289
1-[2-(dimethylamino)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107437245
4-[(2-methylcyclohexyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82905186
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107437712
5-oxo-1-(2,3,3-trimethylbutylcarbamoyl)piperazine-2-carboxylic acid
CID 107439163
1-(2-methylsulfanylpropylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
CID 107439258

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylcycloheptyl)carbamoyl]-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-[(2-methylcycloheptyl)carbamoyl]-5-oxopiperazine-2-carboxylic acid (CID 107438930) is 1-[(2-methylcycloheptyl)carbamoyl]-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-methylcycloheptyl)carbamoyl]-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-[(2-methylcycloheptyl)carbamoyl]-5-oxopiperazine-2-carboxylic acid is CC1CCCCCC1NC(=O)N1CC(=O)NCC1C(=O)O.
What is the InChIKey of 1-[(2-methylcycloheptyl)carbamoyl]-5-oxopiperazine-2-carboxylic acid?
The InChIKey is CRLVHVIZVJIAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-9-5-3-2-4-6-10(9)16-14(21)17-8-12(18)15-7-11(17)13(19)20/h9-11H,2-8H2,1H3,(H,15,18)(H,16,21)(H,19,20).
What are the key properties of 1-[(2-methylcycloheptyl)carbamoyl]-5-oxopiperazine-2-carboxylic acid?
1-[(2-methylcycloheptyl)carbamoyl]-5-oxopiperazine-2-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylcycloheptyl)carbamoyl]-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107438930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).