N-(4-piperidin-1-ylbut-2-ynyl)thiophene-3-carboxamide

C14H18N2OS — CID 71792650

IUPACN-(4-piperidin-1-ylbut-2-ynyl)thiophene-3-carboxamide
SMILESO=C(NCC#CCN1CCCCC1)c1ccsc1
InChIInChI=1S/C14H18N2OS/c17-14(13-6-11-18-12-13)15-7-2-5-10-16-8-3-1-4-9-16/h6,11-12H,1,3-4,7-10H2,(H,15,17)
InChIKeySZANJTBIXDPWJU-UHFFFAOYSA-N
MW262.38 g/mol
LogP1.97
Rot. Bonds3

About N-(4-piperidin-1-ylbut-2-ynyl)thiophene-3-carboxamide

N-(4-piperidin-1-ylbut-2-ynyl)thiophene-3-carboxamide (PubChem CID 71792650) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-(4-piperidin-1-ylbut-2-ynyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylbut-2-ynyl)thiophene-3-carboxamide
PubChem CID71792650
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-(4-piperidin-1-ylbut-2-ynyl)thiophene-3-carboxamide
SMILESO=C(NCC#CCN1CCCCC1)c1ccsc1
InChIInChI=1S/C14H18N2OS/c17-14(13-6-11-18-12-13)15-7-2-5-10-16-8-3-1-4-9-16/h6,11-12H,1,3-4,7-10H2,(H,15,17)
InChIKeySZANJTBIXDPWJU-UHFFFAOYSA-N
XLogP1.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(Thiophen-3-ylcarbonyl)piperazine
CID 12289911
(2-Propan-2-ylthiomorpholin-4-yl)-thiophen-3-ylmethanone
CID 72118345
(1-Ethyl-1,8-diazaspiro[4.5]decan-8-yl)-thiophen-3-ylmethanone
CID 97493554
5-(Thiophene-3-carbonyl)-1,5-diazacycloundecan-2-one
CID 110201368
N-Ethylthiophene-3-carboxamide
CID 15452328
N-Propylthiophene-3-carboxamide
CID 23273494
1-(Thiophene-3-carbonyl)-1,4-diazepane
CID 16778101
N-(piperidin-4-yl)thiophene-3-carboxamide hydrochloride
CID 45787133
N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)thiophene-3-carboxamide
CID 45558601
1-(Thiophene-3-carbonyl)piperidine-4-carboxamide
CID 45795500
N-[1-(2-Methoxyethyl)piperidin-4-YL]thiophene-3-carboxamide
CID 47549497
N-((1-(methylsulfonyl)piperidin-4-yl)methyl)thiophene-3-carboxamide
CID 49688188

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylbut-2-ynyl)thiophene-3-carboxamide?
The IUPAC name of N-(4-piperidin-1-ylbut-2-ynyl)thiophene-3-carboxamide (CID 71792650) is N-(4-piperidin-1-ylbut-2-ynyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(4-piperidin-1-ylbut-2-ynyl)thiophene-3-carboxamide?
The canonical SMILES for N-(4-piperidin-1-ylbut-2-ynyl)thiophene-3-carboxamide is O=C(NCC#CCN1CCCCC1)c1ccsc1.
What is the InChIKey of N-(4-piperidin-1-ylbut-2-ynyl)thiophene-3-carboxamide?
The InChIKey is SZANJTBIXDPWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c17-14(13-6-11-18-12-13)15-7-2-5-10-16-8-3-1-4-9-16/h6,11-12H,1,3-4,7-10H2,(H,15,17).
What are the key properties of N-(4-piperidin-1-ylbut-2-ynyl)thiophene-3-carboxamide?
N-(4-piperidin-1-ylbut-2-ynyl)thiophene-3-carboxamide has a molecular weight of 262.38 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylbut-2-ynyl)thiophene-3-carboxamide is sourced from PubChem (CID 71792650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).