4-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N-(2-methoxyethyl)piperazine-1-carboxamide

C13H25N3O3 — CID 97039185

IUPAC4-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
SMILESCOCCNC(=O)N1CCN(C[C@@H](O)C2CC2)CC1
InChIInChI=1S/C13H25N3O3/c1-19-9-4-14-13(18)16-7-5-15(6-8-16)10-12(17)11-2-3-11/h11-12,17H,2-10H2,1H3,(H,14,18)/t12-/m1/s1
InChIKeyKZNFYURFAOOTMQ-GFCCVEGCSA-N
MW271.36 g/mol
LogP-0.27
Rot. Bonds6

About 4-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N-(2-methoxyethyl)piperazine-1-carboxamide

4-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N-(2-methoxyethyl)piperazine-1-carboxamide (PubChem CID 97039185) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N-(2-methoxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
PubChem CID97039185
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name4-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
SMILESCOCCNC(=O)N1CCN(C[C@@H](O)C2CC2)CC1
InChIInChI=1S/C13H25N3O3/c1-19-9-4-14-13(18)16-7-5-15(6-8-16)10-12(17)11-2-3-11/h11-12,17H,2-10H2,1H3,(H,14,18)/t12-/m1/s1
InChIKeyKZNFYURFAOOTMQ-GFCCVEGCSA-N
XLogP-0.27
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N-(2-methoxyethyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N-(2-methoxyethyl)piperazine-1-carboxamide (CID 97039185) is 4-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N-(2-methoxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N-(2-methoxyethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N-(2-methoxyethyl)piperazine-1-carboxamide is COCCNC(=O)N1CCN(C[C@@H](O)C2CC2)CC1.
What is the InChIKey of 4-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N-(2-methoxyethyl)piperazine-1-carboxamide?
The InChIKey is KZNFYURFAOOTMQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-19-9-4-14-13(18)16-7-5-15(6-8-16)10-12(17)11-2-3-11/h11-12,17H,2-10H2,1H3,(H,14,18)/t12-/m1/s1.
What are the key properties of 4-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N-(2-methoxyethyl)piperazine-1-carboxamide?
4-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N-(2-methoxyethyl)piperazine-1-carboxamide has a molecular weight of 271.36 g/mol, XLogP of -0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N-(2-methoxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 97039185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).