5-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]thiophene-2-carbohydrazide;tert-butyl formate

C23H33N5O4S — CID 174614422

IUPAC5-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]thiophene-2-carbohydrazide;tert-butyl formate
SMILESCC(=O)N1CCN(c2ccc(CCc3ccc(C(=O)NN)s3)nc2)CC1.CC(C)(C)OC=O
InChIInChI=1S/C18H23N5O2S.C5H10O2/c1-13(24)22-8-10-23(11-9-22)15-4-2-14(20-12-15)3-5-16-6-7-17(26-16)18(25)21-19;1-5(2,3)7-4-6/h2,4,6-7,12H,3,5,8-11,19H2,1H3,(H,21,25);4H,1-3H3
InChIKeyLKPHQCFIJZIQDN-UHFFFAOYSA-N
MW475.62 g/mol
LogP2.16
Rot. Bonds6

About 5-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]thiophene-2-carbohydrazide;tert-butyl formate

5-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]thiophene-2-carbohydrazide;tert-butyl formate (PubChem CID 174614422) has the molecular formula C23H33N5O4S and a molecular weight of 475.62 g/mol. Its IUPAC name is 5-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]thiophene-2-carbohydrazide;tert-butyl formate.

Molecular Properties

Compound Name5-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]thiophene-2-carbohydrazide;tert-butyl formate
PubChem CID174614422
Molecular FormulaC23H33N5O4S
Molecular Weight475.62 g/mol
Exact Mass475.23
IUPAC Name5-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]thiophene-2-carbohydrazide;tert-butyl formate
SMILESCC(=O)N1CCN(c2ccc(CCc3ccc(C(=O)NN)s3)nc2)CC1.CC(C)(C)OC=O
InChIInChI=1S/C18H23N5O2S.C5H10O2/c1-13(24)22-8-10-23(11-9-22)15-4-2-14(20-12-15)3-5-16-6-7-17(26-16)18(25)21-19;1-5(2,3)7-4-6/h2,4,6-7,12H,3,5,8-11,19H2,1H3,(H,21,25);4H,1-3H3
InChIKeyLKPHQCFIJZIQDN-UHFFFAOYSA-N
XLogP2.16
TPSA117.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.62
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[5-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]thiophen-2-yl]ethyl N-aminocarbamate
CID 67267295
1-[4-[6-[2-[5-[amino(ethyl)amino]thiophen-2-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone
CID 174614522
[5-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]thiophen-2-yl] propanoate
CID 91363189
1-[4-[6-[2-[4-(aminomethyl)phenyl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone
CID 58181336
1-[4-[6-(2,2-dimethylpropyl)-3-pyridinyl]piperazin-1-yl]ethanone
CID 135157721
2-[5-[(E)-2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethenyl]thiophen-2-yl]ethyl acetate
CID 58181289
[4-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]methyl 2-aminoacetate
CID 58181358
1-[4-[6-[2-[5-(3-hydroxypropyl)thiophen-3-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone
CID 58181239
[4-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]-aminocarbamic acid
CID 141250268
tert-butyl 4-[6-[2-[4-(2-hydroxyethyl)phenyl]ethyl]-3-pyridinyl]piperazine-1-carboxylate
CID 67029992
1-[[3-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]methyl]-1-aminourea;trihydrochloride
CID 67267228
1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115949166

Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]thiophene-2-carbohydrazide;tert-butyl formate?
The IUPAC name of 5-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]thiophene-2-carbohydrazide;tert-butyl formate (CID 174614422) is 5-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]thiophene-2-carbohydrazide;tert-butyl formate.
What is the SMILES notation for 5-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]thiophene-2-carbohydrazide;tert-butyl formate?
The canonical SMILES for 5-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]thiophene-2-carbohydrazide;tert-butyl formate is CC(=O)N1CCN(c2ccc(CCc3ccc(C(=O)NN)s3)nc2)CC1.CC(C)(C)OC=O.
What is the InChIKey of 5-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]thiophene-2-carbohydrazide;tert-butyl formate?
The InChIKey is LKPHQCFIJZIQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S.C5H10O2/c1-13(24)22-8-10-23(11-9-22)15-4-2-14(20-12-15)3-5-16-6-7-17(26-16)18(25)21-19;1-5(2,3)7-4-6/h2,4,6-7,12H,3,5,8-11,19H2,1H3,(H,21,25);4H,1-3H3.
What are the key properties of 5-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]thiophene-2-carbohydrazide;tert-butyl formate?
5-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]thiophene-2-carbohydrazide;tert-butyl formate has a molecular weight of 475.62 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]thiophene-2-carbohydrazide;tert-butyl formate is sourced from PubChem (CID 174614422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).