N-(5-chlorothiophen-2-yl)piperazine-1-carboxamide

C9H12ClN3OS — CID 69026880

IUPACN-(5-chlorothiophen-2-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)s1)N1CCNCC1
InChIInChI=1S/C9H12ClN3OS/c10-7-1-2-8(15-7)12-9(14)13-5-3-11-4-6-13/h1-2,11H,3-6H2,(H,12,14)
InChIKeyZZUOZVWAQQGNFP-UHFFFAOYSA-N
MW245.73 g/mol
LogP1.84
Rot. Bonds1

About N-(5-chlorothiophen-2-yl)piperazine-1-carboxamide

N-(5-chlorothiophen-2-yl)piperazine-1-carboxamide (PubChem CID 69026880) has the molecular formula C9H12ClN3OS and a molecular weight of 245.73 g/mol. Its IUPAC name is N-(5-chlorothiophen-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chlorothiophen-2-yl)piperazine-1-carboxamide
PubChem CID69026880
Molecular FormulaC9H12ClN3OS
Molecular Weight245.73 g/mol
Exact Mass245.04
IUPAC NameN-(5-chlorothiophen-2-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)s1)N1CCNCC1
InChIInChI=1S/C9H12ClN3OS/c10-7-1-2-8(15-7)12-9(14)13-5-3-11-4-6-13/h1-2,11H,3-6H2,(H,12,14)
InChIKeyZZUOZVWAQQGNFP-UHFFFAOYSA-N
XLogP1.84
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chlorothiophen-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(5-chlorothiophen-2-yl)piperazine-1-carboxamide (CID 69026880) is N-(5-chlorothiophen-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(5-chlorothiophen-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(5-chlorothiophen-2-yl)piperazine-1-carboxamide is O=C(Nc1ccc(Cl)s1)N1CCNCC1.
What is the InChIKey of N-(5-chlorothiophen-2-yl)piperazine-1-carboxamide?
The InChIKey is ZZUOZVWAQQGNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3OS/c10-7-1-2-8(15-7)12-9(14)13-5-3-11-4-6-13/h1-2,11H,3-6H2,(H,12,14).
What are the key properties of N-(5-chlorothiophen-2-yl)piperazine-1-carboxamide?
N-(5-chlorothiophen-2-yl)piperazine-1-carboxamide has a molecular weight of 245.73 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chlorothiophen-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 69026880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).