N-(4-ethylcyclohexyl)-N-methyl-5-oxopiperazine-2-carboxamide

C14H25N3O2 — CID 107435465

IUPACN-(4-ethylcyclohexyl)-N-methyl-5-oxopiperazine-2-carboxamide
SMILESCCC1CCC(N(C)C(=O)C2CNC(=O)CN2)CC1
InChIInChI=1S/C14H25N3O2/c1-3-10-4-6-11(7-5-10)17(2)14(19)12-8-16-13(18)9-15-12/h10-12,15H,3-9H2,1-2H3,(H,16,18)
InChIKeyKOSFKIGJLPODEK-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.50
Rot. Bonds3

About N-(4-ethylcyclohexyl)-N-methyl-5-oxopiperazine-2-carboxamide

N-(4-ethylcyclohexyl)-N-methyl-5-oxopiperazine-2-carboxamide (PubChem CID 107435465) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-N-methyl-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-N-methyl-5-oxopiperazine-2-carboxamide
PubChem CID107435465
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-(4-ethylcyclohexyl)-N-methyl-5-oxopiperazine-2-carboxamide
SMILESCCC1CCC(N(C)C(=O)C2CNC(=O)CN2)CC1
InChIInChI=1S/C14H25N3O2/c1-3-10-4-6-11(7-5-10)17(2)14(19)12-8-16-13(18)9-15-12/h10-12,15H,3-9H2,1-2H3,(H,16,18)
InChIKeyKOSFKIGJLPODEK-UHFFFAOYSA-N
XLogP0.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-5-oxo-N-propylpiperazine-2-carboxamide
CID 107433788
N-ethyl-N-methyl-5-oxopiperazine-2-carboxamide
CID 107433774
ethyl 2-[cyclopropyl-(5-oxopiperazine-2-carbonyl)amino]acetate
CID 107435393
(2S)-N-(4-ethylcyclohexyl)-N-methylpiperidine-2-carboxamide
CID 93456348
N-cyclopentyl-N-[2-(dimethylamino)ethyl]-5-oxopiperazine-2-carboxamide
CID 107435385
N-ethyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide
CID 107435117
(3S,4S)-N-(4-ethylcyclohexyl)-N,4-dimethylpyrrolidine-3-carboxamide
CID 98540092
5-oxo-N-propan-2-yl-N-propylpiperazine-2-carboxamide
CID 107433786
2-[cyclopentyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid
CID 107435593
N-cyclopropyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 78983294
N-(4-ethylcyclohexyl)-N,2-dimethylpyrrolidine-3-carboxamide
CID 79388536
5-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 107435225

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-N-methyl-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-(4-ethylcyclohexyl)-N-methyl-5-oxopiperazine-2-carboxamide (CID 107435465) is N-(4-ethylcyclohexyl)-N-methyl-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-(4-ethylcyclohexyl)-N-methyl-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-(4-ethylcyclohexyl)-N-methyl-5-oxopiperazine-2-carboxamide is CCC1CCC(N(C)C(=O)C2CNC(=O)CN2)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-N-methyl-5-oxopiperazine-2-carboxamide?
The InChIKey is KOSFKIGJLPODEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-10-4-6-11(7-5-10)17(2)14(19)12-8-16-13(18)9-15-12/h10-12,15H,3-9H2,1-2H3,(H,16,18).
What are the key properties of N-(4-ethylcyclohexyl)-N-methyl-5-oxopiperazine-2-carboxamide?
N-(4-ethylcyclohexyl)-N-methyl-5-oxopiperazine-2-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-N-methyl-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107435465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).