4-ethyl-1-propan-2-ylpiperazine-2-carboxamide

C10H21N3O — CID 167076261

IUPAC4-ethyl-1-propan-2-ylpiperazine-2-carboxamide
SMILESCCN1CCN(C(C)C)C(C(N)=O)C1
InChIInChI=1S/C10H21N3O/c1-4-12-5-6-13(8(2)3)9(7-12)10(11)14/h8-9H,4-7H2,1-3H3,(H2,11,14)
InChIKeyBDEPPMCKQGBVMV-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.11
Rot. Bonds3

About 4-ethyl-1-propan-2-ylpiperazine-2-carboxamide

4-ethyl-1-propan-2-ylpiperazine-2-carboxamide (PubChem CID 167076261) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 4-ethyl-1-propan-2-ylpiperazine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-1-propan-2-ylpiperazine-2-carboxamide
PubChem CID167076261
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name4-ethyl-1-propan-2-ylpiperazine-2-carboxamide
SMILESCCN1CCN(C(C)C)C(C(N)=O)C1
InChIInChI=1S/C10H21N3O/c1-4-12-5-6-13(8(2)3)9(7-12)10(11)14/h8-9H,4-7H2,1-3H3,(H2,11,14)
InChIKeyBDEPPMCKQGBVMV-UHFFFAOYSA-N
XLogP-0.11
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-propan-2-yl-4-(2-pyrazol-1-ylacetyl)piperazine-2-carboxamide
CID 124999570
4-ethyl-2-(fluoromethyl)-1-propan-2-ylpiperazine
CID 167076354
(2S)-2-(difluoromethyl)-4-ethyl-1-propan-2-ylpiperazine
CID 176559353
(2R)-4-(2-phenoxyacetyl)-1-propan-2-ylpiperazine-2-carboxamide
CID 124999111
(2S)-4-(4-fluorobenzoyl)-1-propan-2-ylpiperazine-2-carboxamide
CID 125016909
(2S)-4-[2-(dimethylamino)pyrimidine-5-carbonyl]-1-propan-2-ylpiperazine-2-carboxamide
CID 95811305
(2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide
CID 125020200
(2R)-4-(6-methylpyridine-3-carbonyl)-1-propan-2-ylpiperazine-2-carboxamide
CID 125008665
(2R)-4-[2-(1H-indol-3-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide
CID 124969435
(2R)-4-[4-(benzenesulfonyl)butanoyl]-1-propan-2-ylpiperazine-2-carboxamide
CID 125001330
1-butan-2-ylpyrrolidine-2-carboxamide
CID 131201186
4-(5-fluoro-1H-indole-2-carbonyl)-1-propan-2-ylpiperazine-2-carboxamide
CID 110086124

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-propan-2-ylpiperazine-2-carboxamide?
The IUPAC name of 4-ethyl-1-propan-2-ylpiperazine-2-carboxamide (CID 167076261) is 4-ethyl-1-propan-2-ylpiperazine-2-carboxamide.
What is the SMILES notation for 4-ethyl-1-propan-2-ylpiperazine-2-carboxamide?
The canonical SMILES for 4-ethyl-1-propan-2-ylpiperazine-2-carboxamide is CCN1CCN(C(C)C)C(C(N)=O)C1.
What is the InChIKey of 4-ethyl-1-propan-2-ylpiperazine-2-carboxamide?
The InChIKey is BDEPPMCKQGBVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-4-12-5-6-13(8(2)3)9(7-12)10(11)14/h8-9H,4-7H2,1-3H3,(H2,11,14).
What are the key properties of 4-ethyl-1-propan-2-ylpiperazine-2-carboxamide?
4-ethyl-1-propan-2-ylpiperazine-2-carboxamide has a molecular weight of 199.30 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-propan-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 167076261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).