N-[[(2R)-oxolan-2-yl]methyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide

C15H21N3O3S — CID 167530290

IUPACN-[[(2R)-oxolan-2-yl]methyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(NC[C@H]1CCCO1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C15H21N3O3S/c19-14(13-4-2-10-22-13)17-5-7-18(8-6-17)15(20)16-11-12-3-1-9-21-12/h2,4,10,12H,1,3,5-9,11H2,(H,16,20)/t12-/m1/s1
InChIKeyIFBUPEBQECKOCS-GFCCVEGCSA-N
MW323.42 g/mol
LogP1.39
Rot. Bonds3

About N-[[(2R)-oxolan-2-yl]methyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide

N-[[(2R)-oxolan-2-yl]methyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide (PubChem CID 167530290) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
PubChem CID167530290
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(NC[C@H]1CCCO1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C15H21N3O3S/c19-14(13-4-2-10-22-13)17-5-7-18(8-6-17)15(20)16-11-12-3-1-9-21-12/h2,4,10,12H,1,3,5-9,11H2,(H,16,20)/t12-/m1/s1
InChIKeyIFBUPEBQECKOCS-GFCCVEGCSA-N
XLogP1.39
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide (CID 167530290) is N-[[(2R)-oxolan-2-yl]methyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide is O=C(NC[C@H]1CCCO1)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is IFBUPEBQECKOCS-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N3O3S/c19-14(13-4-2-10-22-13)17-5-7-18(8-6-17)15(20)16-11-12-3-1-9-21-12/h2,4,10,12H,1,3,5-9,11H2,(H,16,20)/t12-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide?
N-[[(2R)-oxolan-2-yl]methyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 167530290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).