4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide

C15H23N3O2S — CID 97039168

IUPAC4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1cccs1)N1CCN(C[C@H](O)C2CC2)CC1
InChIInChI=1S/C15H23N3O2S/c19-14(12-3-4-12)11-17-5-7-18(8-6-17)15(20)16-10-13-2-1-9-21-13/h1-2,9,12,14,19H,3-8,10-11H2,(H,16,20)/t14-/m0/s1
InChIKeyLHADUXPMJDPWLS-AWEZNQCLSA-N
MW309.44 g/mol
LogP1.35
Rot. Bonds5

About 4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide

4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 97039168) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
PubChem CID97039168
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1cccs1)N1CCN(C[C@H](O)C2CC2)CC1
InChIInChI=1S/C15H23N3O2S/c19-14(12-3-4-12)11-17-5-7-18(8-6-17)15(20)16-10-13-2-1-9-21-13/h1-2,9,12,14,19H,3-8,10-11H2,(H,16,20)/t14-/m0/s1
InChIKeyLHADUXPMJDPWLS-AWEZNQCLSA-N
XLogP1.35
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide (CID 97039168) is 4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide is O=C(NCc1cccs1)N1CCN(C[C@H](O)C2CC2)CC1.
What is the InChIKey of 4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is LHADUXPMJDPWLS-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23N3O2S/c19-14(12-3-4-12)11-17-5-7-18(8-6-17)15(20)16-10-13-2-1-9-21-13/h1-2,9,12,14,19H,3-8,10-11H2,(H,16,20)/t14-/m0/s1.
What are the key properties of 4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 97039168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).