N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-phenyl-5-piperidin-1-ylthiophene-2-carboxamide

C24H34N4OS — CID 20940455

IUPACN-[2-(4-ethylpiperazin-1-yl)ethyl]-4-phenyl-5-piperidin-1-ylthiophene-2-carboxamide
SMILESCCN1CCN(CCNC(=O)c2cc(-c3ccccc3)c(N3CCCCC3)s2)CC1
InChIInChI=1S/C24H34N4OS/c1-2-26-15-17-27(18-16-26)14-11-25-23(29)22-19-21(20-9-5-3-6-10-20)24(30-22)28-12-7-4-8-13-28/h3,5-6,9-10,19H,2,4,7-8,11-18H2,1H3,(H,25,29)
InChIKeyZEZBUSXOZQEJGD-UHFFFAOYSA-N
MW426.63 g/mol
LogP3.77
Rot. Bonds7

About N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-phenyl-5-piperidin-1-ylthiophene-2-carboxamide

N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-phenyl-5-piperidin-1-ylthiophene-2-carboxamide (PubChem CID 20940455) has the molecular formula C24H34N4OS and a molecular weight of 426.63 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-phenyl-5-piperidin-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)ethyl]-4-phenyl-5-piperidin-1-ylthiophene-2-carboxamide
PubChem CID20940455
Molecular FormulaC24H34N4OS
Molecular Weight426.63 g/mol
Exact Mass426.25
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)ethyl]-4-phenyl-5-piperidin-1-ylthiophene-2-carboxamide
SMILESCCN1CCN(CCNC(=O)c2cc(-c3ccccc3)c(N3CCCCC3)s2)CC1
InChIInChI=1S/C24H34N4OS/c1-2-26-15-17-27(18-16-26)14-11-25-23(29)22-19-21(20-9-5-3-6-10-20)24(30-22)28-12-7-4-8-13-28/h3,5-6,9-10,19H,2,4,7-8,11-18H2,1H3,(H,25,29)
InChIKeyZEZBUSXOZQEJGD-UHFFFAOYSA-N
XLogP3.77
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.63
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(azepan-1-yl)-N-(3-methoxypropyl)-4-phenylthiophene-2-carboxamide
CID 20940483
5-(azepan-1-yl)-N-[(2-methoxyphenyl)methyl]-4-phenylthiophene-2-carboxamide
CID 20940482
(4-phenyl-5-piperidin-1-ylthiophen-2-yl)-pyrrolidin-1-ylmethanone
CID 20940464
N-[3-(3-methylpiperidin-1-yl)propyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 20940421
5-morpholin-4-yl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenylthiophene-2-carboxamide
CID 27861002
5-bromo-4-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 79965307
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]pyrrole-2-carboxamide
CID 22510936
N-[4-(ethylcarbamoyl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 55753857
5-(2,3-dihydroindol-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 20940588
N-[(3-ethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 55783627
N-[2-(4-methylpiperazin-1-yl)ethyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602501
(4-cyclohexylpiperazin-1-yl)-(4-phenyl-5-piperidin-1-ylthiophen-2-yl)methanone
CID 20940465

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-phenyl-5-piperidin-1-ylthiophene-2-carboxamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-phenyl-5-piperidin-1-ylthiophene-2-carboxamide (CID 20940455) is N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-phenyl-5-piperidin-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-phenyl-5-piperidin-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-phenyl-5-piperidin-1-ylthiophene-2-carboxamide is CCN1CCN(CCNC(=O)c2cc(-c3ccccc3)c(N3CCCCC3)s2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-phenyl-5-piperidin-1-ylthiophene-2-carboxamide?
The InChIKey is ZEZBUSXOZQEJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4OS/c1-2-26-15-17-27(18-16-26)14-11-25-23(29)22-19-21(20-9-5-3-6-10-20)24(30-22)28-12-7-4-8-13-28/h3,5-6,9-10,19H,2,4,7-8,11-18H2,1H3,(H,25,29).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-phenyl-5-piperidin-1-ylthiophene-2-carboxamide?
N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-phenyl-5-piperidin-1-ylthiophene-2-carboxamide has a molecular weight of 426.63 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-phenyl-5-piperidin-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 20940455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).