4-(2-cyclopropyl-2-hydroxyethyl)-N-ethylpiperazine-1-carboxamide

C12H23N3O2 — CID 71783438

IUPAC4-(2-cyclopropyl-2-hydroxyethyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C12H23N3O2/c1-2-13-12(17)15-7-5-14(6-8-15)9-11(16)10-3-4-10/h10-11,16H,2-9H2,1H3,(H,13,17)
InChIKeyNECVLHAUBRJFND-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.10
Rot. Bonds4

About 4-(2-cyclopropyl-2-hydroxyethyl)-N-ethylpiperazine-1-carboxamide

4-(2-cyclopropyl-2-hydroxyethyl)-N-ethylpiperazine-1-carboxamide (PubChem CID 71783438) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-(2-cyclopropyl-2-hydroxyethyl)-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-cyclopropyl-2-hydroxyethyl)-N-ethylpiperazine-1-carboxamide
PubChem CID71783438
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name4-(2-cyclopropyl-2-hydroxyethyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C12H23N3O2/c1-2-13-12(17)15-7-5-14(6-8-15)9-11(16)10-3-4-10/h10-11,16H,2-9H2,1H3,(H,13,17)
InChIKeyNECVLHAUBRJFND-UHFFFAOYSA-N
XLogP0.10
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 97039185
N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 115569927
N,4-diethylpiperazine-1-carboxamide
CID 22309084
1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 71783035
4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 97039182
4-(2-cyclopropyl-2-hydroxyethyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 71783426
4-(2-cyclopropyl-2-hydroxyethyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide;hydrochloride
CID 71783425
cyclohexyl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone
CID 71783040
ethane;N-ethyl-4-methylpiperazine-1-carboxamide
CID 162757758
N-ethyl-4-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboxamide
CID 71783458
1-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 63908037
prop-1-en-2-yl 4-(ethylcarbamoyl)piperazine-1-carboxylate
CID 89259378

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-2-hydroxyethyl)-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-cyclopropyl-2-hydroxyethyl)-N-ethylpiperazine-1-carboxamide (CID 71783438) is 4-(2-cyclopropyl-2-hydroxyethyl)-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-cyclopropyl-2-hydroxyethyl)-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-cyclopropyl-2-hydroxyethyl)-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(CC(O)C2CC2)CC1.
What is the InChIKey of 4-(2-cyclopropyl-2-hydroxyethyl)-N-ethylpiperazine-1-carboxamide?
The InChIKey is NECVLHAUBRJFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-2-13-12(17)15-7-5-14(6-8-15)9-11(16)10-3-4-10/h10-11,16H,2-9H2,1H3,(H,13,17).
What are the key properties of 4-(2-cyclopropyl-2-hydroxyethyl)-N-ethylpiperazine-1-carboxamide?
4-(2-cyclopropyl-2-hydroxyethyl)-N-ethylpiperazine-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-2-hydroxyethyl)-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 71783438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).