N-(1-benzylpiperidin-4-yl)thiophene-2-carboxamide

C17H20N2OS — CID 557630

IUPACN-(1-benzylpiperidin-4-yl)thiophene-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cccs1
InChIInChI=1S/C17H20N2OS/c20-17(16-7-4-12-21-16)18-15-8-10-19(11-9-15)13-14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2,(H,18,20)
InChIKeyYPHFBWBWEPTCTR-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.14
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)thiophene-2-carboxamide

N-(1-benzylpiperidin-4-yl)thiophene-2-carboxamide (PubChem CID 557630) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)thiophene-2-carboxamide
PubChem CID557630
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-(1-benzylpiperidin-4-yl)thiophene-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cccs1
InChIInChI=1S/C17H20N2OS/c20-17(16-7-4-12-21-16)18-15-8-10-19(11-9-15)13-14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2,(H,18,20)
InChIKeyYPHFBWBWEPTCTR-UHFFFAOYSA-N
XLogP3.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)thiophene-2-carboxamide (CID 557630) is N-(1-benzylpiperidin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)thiophene-2-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1cccs1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)thiophene-2-carboxamide?
The InChIKey is YPHFBWBWEPTCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c20-17(16-7-4-12-21-16)18-15-8-10-19(11-9-15)13-14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2,(H,18,20).
What are the key properties of N-(1-benzylpiperidin-4-yl)thiophene-2-carboxamide?
N-(1-benzylpiperidin-4-yl)thiophene-2-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 557630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).