N-piperidin-3-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride

C15H23ClN2OS — CID 119425525

IUPACN-piperidin-3-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCNC1)c1cc2c(s1)CCCCC2
InChIInChI=1S/C15H22N2OS.ClH/c18-15(17-12-6-4-8-16-10-12)14-9-11-5-2-1-3-7-13(11)19-14;/h9,12,16H,1-8,10H2,(H,17,18);1H
InChIKeySCFIMJCHJUQYBV-UHFFFAOYSA-N
MW314.88 g/mol
LogP2.92
Rot. Bonds2

About N-piperidin-3-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride

N-piperidin-3-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride (PubChem CID 119425525) has the molecular formula C15H23ClN2OS and a molecular weight of 314.88 g/mol. Its IUPAC name is N-piperidin-3-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-piperidin-3-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride
PubChem CID119425525
Molecular FormulaC15H23ClN2OS
Molecular Weight314.88 g/mol
Exact Mass314.12
IUPAC NameN-piperidin-3-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCNC1)c1cc2c(s1)CCCCC2
InChIInChI=1S/C15H22N2OS.ClH/c18-15(17-12-6-4-8-16-10-12)14-9-11-5-2-1-3-7-13(11)19-14;/h9,12,16H,1-8,10H2,(H,17,18);1H
InChIKeySCFIMJCHJUQYBV-UHFFFAOYSA-N
XLogP2.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.88
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7996122
N-pyrrolidin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 119453037
N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 119456368
N-(2-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 120600778
N-(4-oxocyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 43652917
N-cyclohexyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide;hydrobromide
CID 138111140
N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide;hydrochloride
CID 119534635
N-[(3S)-1,1-dioxothiolan-3-yl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 27710092
N-(3,3-dimethylcyclopentyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 114550474
cis-(1R,3S)-3-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 120678419
4,5-dibromo-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866520
4,5-dibromo-N-piperidin-3-ylthiophene-2-carboxamide
CID 80537940

Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-piperidin-3-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride (CID 119425525) is N-piperidin-3-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-piperidin-3-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-piperidin-3-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride is Cl.O=C(NC1CCCNC1)c1cc2c(s1)CCCCC2.
What is the InChIKey of N-piperidin-3-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride?
The InChIKey is SCFIMJCHJUQYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS.ClH/c18-15(17-12-6-4-8-16-10-12)14-9-11-5-2-1-3-7-13(11)19-14;/h9,12,16H,1-8,10H2,(H,17,18);1H.
What are the key properties of N-piperidin-3-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride?
N-piperidin-3-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride has a molecular weight of 314.88 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119425525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).