N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]thiophene-2-carboxamide

C22H30N4OS — CID 15045455

IUPACN-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]thiophene-2-carboxamide
SMILESO=C(NC1CCC(CCN2CCN(c3ccccn3)CC2)CC1)c1cccs1
InChIInChI=1S/C22H30N4OS/c27-22(20-4-3-17-28-20)24-19-8-6-18(7-9-19)10-12-25-13-15-26(16-14-25)21-5-1-2-11-23-21/h1-5,11,17-19H,6-10,12-16H2,(H,24,27)
InChIKeyZSOAASMDFMEZPH-UHFFFAOYSA-N
MW398.58 g/mol
LogP3.64
Rot. Bonds6

About N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]thiophene-2-carboxamide

N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]thiophene-2-carboxamide (PubChem CID 15045455) has the molecular formula C22H30N4OS and a molecular weight of 398.58 g/mol. Its IUPAC name is N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]thiophene-2-carboxamide
PubChem CID15045455
Molecular FormulaC22H30N4OS
Molecular Weight398.58 g/mol
Exact Mass398.21
IUPAC NameN-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]thiophene-2-carboxamide
SMILESO=C(NC1CCC(CCN2CCN(c3ccccn3)CC2)CC1)c1cccs1
InChIInChI=1S/C22H30N4OS/c27-22(20-4-3-17-28-20)24-19-8-6-18(7-9-19)10-12-25-13-15-26(16-14-25)21-5-1-2-11-23-21/h1-5,11,17-19H,6-10,12-16H2,(H,24,27)
InChIKeyZSOAASMDFMEZPH-UHFFFAOYSA-N
XLogP3.64
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.58
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]thiophene-2-carboxamide (CID 15045455) is N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]thiophene-2-carboxamide is O=C(NC1CCC(CCN2CCN(c3ccccn3)CC2)CC1)c1cccs1.
What is the InChIKey of N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]thiophene-2-carboxamide?
The InChIKey is ZSOAASMDFMEZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4OS/c27-22(20-4-3-17-28-20)24-19-8-6-18(7-9-19)10-12-25-13-15-26(16-14-25)21-5-1-2-11-23-21/h1-5,11,17-19H,6-10,12-16H2,(H,24,27).
What are the key properties of N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]thiophene-2-carboxamide?
N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]thiophene-2-carboxamide has a molecular weight of 398.58 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]thiophene-2-carboxamide is sourced from PubChem (CID 15045455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).