N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide

C18H25N7O2S — CID 86944950

IUPACN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESO=C(NCCN1CCN(C(=O)C2CCCC2)CC1)c1sccc1-n1cnnn1
InChIInChI=1S/C18H25N7O2S/c26-17(16-15(5-12-28-16)25-13-20-21-22-25)19-6-7-23-8-10-24(11-9-23)18(27)14-3-1-2-4-14/h5,12-14H,1-4,6-11H2,(H,19,26)
InChIKeyQLDTUJZJCVKKOG-UHFFFAOYSA-N
MW403.51 g/mol
LogP0.79
Rot. Bonds6

About N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide

N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide (PubChem CID 86944950) has the molecular formula C18H25N7O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
PubChem CID86944950
Molecular FormulaC18H25N7O2S
Molecular Weight403.51 g/mol
Exact Mass403.18
IUPAC NameN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESO=C(NCCN1CCN(C(=O)C2CCCC2)CC1)c1sccc1-n1cnnn1
InChIInChI=1S/C18H25N7O2S/c26-17(16-15(5-12-28-16)25-13-20-21-22-25)19-6-7-23-8-10-24(11-9-23)18(27)14-3-1-2-4-14/h5,12-14H,1-4,6-11H2,(H,19,26)
InChIKeyQLDTUJZJCVKKOG-UHFFFAOYSA-N
XLogP0.79
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-piperazin-1-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride
CID 119448553
pyrrolidin-1-yl-[3-(tetrazol-1-yl)thiophen-2-yl]methanone
CID 47187933
N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200105
2-[2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]ethoxy]acetic acid
CID 79457635
N-(5-hydroxy-4-methylpentyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 103862134
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 55779864
N-(2,3-dihydroxypropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 66177071
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 55967098
3-[cyclopropyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid
CID 60845060
N-(1H-pyrazol-4-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 54897166
3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide
CID 103730655
3-hydroxy-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid
CID 43357785

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide (CID 86944950) is N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide is O=C(NCCN1CCN(C(=O)C2CCCC2)CC1)c1sccc1-n1cnnn1.
What is the InChIKey of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The InChIKey is QLDTUJZJCVKKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O2S/c26-17(16-15(5-12-28-16)25-13-20-21-22-25)19-6-7-23-8-10-24(11-9-23)18(27)14-3-1-2-4-14/h5,12-14H,1-4,6-11H2,(H,19,26).
What are the key properties of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide has a molecular weight of 403.51 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 86944950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).