1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carboxamide

C16H22N2O2S — CID 9268465

IUPAC1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1
InChIInChI=1S/C16H22N2O2S/c17-15(19)11-6-8-18(9-7-11)16(20)14-10-12-4-2-1-3-5-13(12)21-14/h10-11H,1-9H2,(H2,17,19)
InChIKeySZWDUTXMUWEHJZ-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.35
Rot. Bonds2

About 1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carboxamide

1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 9268465) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID9268465
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1
InChIInChI=1S/C16H22N2O2S/c17-15(19)11-6-8-18(9-7-11)16(20)14-10-12-4-2-1-3-5-13(12)21-14/h10-11H,1-9H2,(H2,17,19)
InChIKeySZWDUTXMUWEHJZ-UHFFFAOYSA-N
XLogP2.35
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carboxamide (CID 9268465) is 1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1.
What is the InChIKey of 1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is SZWDUTXMUWEHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c17-15(19)11-6-8-18(9-7-11)16(20)14-10-12-4-2-1-3-5-13(12)21-14/h10-11H,1-9H2,(H2,17,19).
What are the key properties of 1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carboxamide?
1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 306.43 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 9268465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).