N-[2-[4-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide

C23H25FN4O2S — CID 139793542

IUPACN-[2-[4-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCN1CCN(c2ncccc2OCc2cccc(F)c2)CC1)c1cccs1
InChIInChI=1S/C23H25FN4O2S/c24-19-5-1-4-18(16-19)17-30-20-6-2-8-25-22(20)28-13-11-27(12-14-28)10-9-26-23(29)21-7-3-15-31-21/h1-8,15-16H,9-14,17H2,(H,26,29)
InChIKeyIRMJEQKYTQLBCJ-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.41
Rot. Bonds8

About N-[2-[4-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide

N-[2-[4-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide (PubChem CID 139793542) has the molecular formula C23H25FN4O2S and a molecular weight of 440.54 g/mol. Its IUPAC name is N-[2-[4-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide
PubChem CID139793542
Molecular FormulaC23H25FN4O2S
Molecular Weight440.54 g/mol
Exact Mass440.17
IUPAC NameN-[2-[4-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCN1CCN(c2ncccc2OCc2cccc(F)c2)CC1)c1cccs1
InChIInChI=1S/C23H25FN4O2S/c24-19-5-1-4-18(16-19)17-30-20-6-2-8-25-22(20)28-13-11-27(12-14-28)10-9-26-23(29)21-7-3-15-31-21/h1-8,15-16H,9-14,17H2,(H,26,29)
InChIKeyIRMJEQKYTQLBCJ-UHFFFAOYSA-N
XLogP3.41
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-oxo-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]propyl]thiophene-2-carboxamide
CID 55933196
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 10617524
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-carboxamide
CID 42224892
(3-fluorophenyl)methyl 4-(thiophene-2-carbonylamino)butanoate
CID 86977749
1-[2-(3-fluorophenyl)ethyl]-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea
CID 55922334
N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 2952427
N-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55933838
N-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]thiophene-2-carboxamide
CID 71293871
N-[2-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide
CID 139793638
N-[3-[3-[(3-fluorophenoxy)methyl]anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 38614236
N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-carboxamide
CID 62295549
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide
CID 10248783

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[4-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide (CID 139793542) is N-[2-[4-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide is O=C(NCCN1CCN(c2ncccc2OCc2cccc(F)c2)CC1)c1cccs1.
What is the InChIKey of N-[2-[4-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is IRMJEQKYTQLBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2S/c24-19-5-1-4-18(16-19)17-30-20-6-2-8-25-22(20)28-13-11-27(12-14-28)10-9-26-23(29)21-7-3-15-31-21/h1-8,15-16H,9-14,17H2,(H,26,29).
What are the key properties of N-[2-[4-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide?
N-[2-[4-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 440.54 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 139793542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).