N-cycloheptyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C18H26N2O2S — CID 42890509

IUPACN-cycloheptyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C18H26N2O2S/c21-17(19-15-8-3-1-2-4-9-15)14-7-5-11-20(13-14)18(22)16-10-6-12-23-16/h6,10,12,14-15H,1-5,7-9,11,13H2,(H,19,21)
InChIKeyHYMXBXWTULEKOE-UHFFFAOYSA-N
MW334.49 g/mol
LogP3.44
Rot. Bonds3

About N-cycloheptyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

N-cycloheptyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 42890509) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is N-cycloheptyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID42890509
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC NameN-cycloheptyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C18H26N2O2S/c21-17(19-15-8-3-1-2-4-9-15)14-7-5-11-20(13-14)18(22)16-10-6-12-23-16/h6,10,12,14-15H,1-5,7-9,11,13H2,(H,19,21)
InChIKeyHYMXBXWTULEKOE-UHFFFAOYSA-N
XLogP3.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-cycloheptyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 42890509) is N-cycloheptyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is O=C(NC1CCCCCC1)C1CCCN(C(=O)c2cccs2)C1.
What is the InChIKey of N-cycloheptyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is HYMXBXWTULEKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c21-17(19-15-8-3-1-2-4-9-15)14-7-5-11-20(13-14)18(22)16-10-6-12-23-16/h6,10,12,14-15H,1-5,7-9,11,13H2,(H,19,21).
What are the key properties of N-cycloheptyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
N-cycloheptyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 334.49 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 42890509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).