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

C23H31N3OS — CID 10596978

IUPACN-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]thiophene-2-carboxamide
SMILESO=C(NC1CCC(CCN2CCN(c3ccccc3)CC2)CC1)c1cccs1
InChIInChI=1S/C23H31N3OS/c27-23(22-7-4-18-28-22)24-20-10-8-19(9-11-20)12-13-25-14-16-26(17-15-25)21-5-2-1-3-6-21/h1-7,18-20H,8-17H2,(H,24,27)
InChIKeyCEJURZXMIYUTSE-UHFFFAOYSA-N
MW397.59 g/mol
LogP4.25
Rot. Bonds6

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

N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]thiophene-2-carboxamide (PubChem CID 10596978) has the molecular formula C23H31N3OS and a molecular weight of 397.59 g/mol. Its IUPAC name is N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]thiophene-2-carboxamide
PubChem CID10596978
Molecular FormulaC23H31N3OS
Molecular Weight397.59 g/mol
Exact Mass397.22
IUPAC NameN-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]thiophene-2-carboxamide
SMILESO=C(NC1CCC(CCN2CCN(c3ccccc3)CC2)CC1)c1cccs1
InChIInChI=1S/C23H31N3OS/c27-23(22-7-4-18-28-22)24-20-10-8-19(9-11-20)12-13-25-14-16-26(17-15-25)21-5-2-1-3-6-21/h1-7,18-20H,8-17H2,(H,24,27)
InChIKeyCEJURZXMIYUTSE-UHFFFAOYSA-N
XLogP4.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.59
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]thiophene-2-carboxamide (CID 10596978) is N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]thiophene-2-carboxamide is O=C(NC1CCC(CCN2CCN(c3ccccc3)CC2)CC1)c1cccs1.
What is the InChIKey of N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]thiophene-2-carboxamide?
The InChIKey is CEJURZXMIYUTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3OS/c27-23(22-7-4-18-28-22)24-20-10-8-19(9-11-20)12-13-25-14-16-26(17-15-25)21-5-2-1-3-6-21/h1-7,18-20H,8-17H2,(H,24,27).
What are the key properties of N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]thiophene-2-carboxamide?
N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]thiophene-2-carboxamide has a molecular weight of 397.59 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]thiophene-2-carboxamide is sourced from PubChem (CID 10596978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).