N-(2-piperidin-1-ylethyl)thiophene-3-carboxamide

C12H18N2OS — CID 51080891

IUPACN-(2-piperidin-1-ylethyl)thiophene-3-carboxamide
SMILESO=C(NCCN1CCCCC1)c1ccsc1
InChIInChI=1S/C12H18N2OS/c15-12(11-4-9-16-10-11)13-5-8-14-6-2-1-3-7-14/h4,9-10H,1-3,5-8H2,(H,13,15)
InChIKeyMOYBNQWWFCEXHA-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.96
Rot. Bonds4

About N-(2-piperidin-1-ylethyl)thiophene-3-carboxamide

N-(2-piperidin-1-ylethyl)thiophene-3-carboxamide (PubChem CID 51080891) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N-(2-piperidin-1-ylethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylethyl)thiophene-3-carboxamide
PubChem CID51080891
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN-(2-piperidin-1-ylethyl)thiophene-3-carboxamide
SMILESO=C(NCCN1CCCCC1)c1ccsc1
InChIInChI=1S/C12H18N2OS/c15-12(11-4-9-16-10-11)13-5-8-14-6-2-1-3-7-14/h4,9-10H,1-3,5-8H2,(H,13,15)
InChIKeyMOYBNQWWFCEXHA-UHFFFAOYSA-N
XLogP1.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylethyl)thiophene-3-carboxamide?
The IUPAC name of N-(2-piperidin-1-ylethyl)thiophene-3-carboxamide (CID 51080891) is N-(2-piperidin-1-ylethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(2-piperidin-1-ylethyl)thiophene-3-carboxamide?
The canonical SMILES for N-(2-piperidin-1-ylethyl)thiophene-3-carboxamide is O=C(NCCN1CCCCC1)c1ccsc1.
What is the InChIKey of N-(2-piperidin-1-ylethyl)thiophene-3-carboxamide?
The InChIKey is MOYBNQWWFCEXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c15-12(11-4-9-16-10-11)13-5-8-14-6-2-1-3-7-14/h4,9-10H,1-3,5-8H2,(H,13,15).
What are the key properties of N-(2-piperidin-1-ylethyl)thiophene-3-carboxamide?
N-(2-piperidin-1-ylethyl)thiophene-3-carboxamide has a molecular weight of 238.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylethyl)thiophene-3-carboxamide is sourced from PubChem (CID 51080891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).