2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

C14H23N3O4 — CID 64816757

IUPAC2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC1C(=O)NCCN1C(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C14H23N3O4/c1-2-11-12(18)15-7-8-17(11)14(21)16-10-6-4-3-5-9(10)13(19)20/h9-11H,2-8H2,1H3,(H,15,18)(H,16,21)(H,19,20)
InChIKeyREENSHXKVKVHKS-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.55
Rot. Bonds3

About 2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 64816757) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID64816757
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC1C(=O)NCCN1C(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C14H23N3O4/c1-2-11-12(18)15-7-8-17(11)14(21)16-10-6-4-3-5-9(10)13(19)20/h9-11H,2-8H2,1H3,(H,15,18)(H,16,21)(H,19,20)
InChIKeyREENSHXKVKVHKS-UHFFFAOYSA-N
XLogP0.55
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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

4-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]-4-oxobut-2-enoic acid
CID 77000526
N-cyclohexyl-2-ethyl-3-oxopiperazine-1-carbothioamide
CID 115617006
4-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]-4-oxobutanoic acid
CID 63605268
3-ethyl-4-(2-methylcyclopropanecarbonyl)piperazin-2-one
CID 63602423
4-(2-cyclohexylacetyl)-3-ethylpiperazin-2-one
CID 63600501
(2R)-2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid
CID 107566992
N-(2-chloropropanoyl)-2-ethyl-3-oxopiperazine-1-carboxamide
CID 55215582
3-ethyl-4-[2-(propan-2-ylamino)acetyl]piperazin-2-one
CID 63602812
2-[(2-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64816386
4-(cyclopentanecarboximidoyl)-3-ethylpiperazin-2-one
CID 63603253
(2S)-N-(2,2-diphenylpropyl)-2-ethyl-3-oxopiperazine-1-carboxamide
CID 125435737
2-ethyl-N-methyl-3-oxopiperazine-1-carbothioamide
CID 115617005

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 64816757) is 2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is CCC1C(=O)NCCN1C(=O)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is REENSHXKVKVHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-2-11-12(18)15-7-8-17(11)14(21)16-10-6-4-3-5-9(10)13(19)20/h9-11H,2-8H2,1H3,(H,15,18)(H,16,21)(H,19,20).
What are the key properties of 2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64816757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).