N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide

C17H22N2OS — CID 61406378

IUPACN-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide
SMILESCCCN(C(=O)c1cc2ccccc2s1)C1CCNCC1
InChIInChI=1S/C17H22N2OS/c1-2-11-19(14-7-9-18-10-8-14)17(20)16-12-13-5-3-4-6-15(13)21-16/h3-6,12,14,18H,2,7-11H2,1H3
InChIKeyBXPXIQTVSSXBGL-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.51
Rot. Bonds4

About N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide

N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide (PubChem CID 61406378) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide
PubChem CID61406378
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide
SMILESCCCN(C(=O)c1cc2ccccc2s1)C1CCNCC1
InChIInChI=1S/C17H22N2OS/c1-2-11-19(14-7-9-18-10-8-14)17(20)16-12-13-5-3-4-6-15(13)21-16/h3-6,12,14,18H,2,7-11H2,1H3
InChIKeyBXPXIQTVSSXBGL-UHFFFAOYSA-N
XLogP3.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide
CID 119824471
N-cyclobutyl-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 102684944
N-(cyclopropylmethyl)-N-propyl-1-benzothiophene-2-carboxamide
CID 134029193
N-piperidin-4-yl-N-propylnaphthalene-1-carboxamide
CID 119824426
4-bromo-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride
CID 119823220
N-piperidin-4-yl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81266924
2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826015
N-propyl-N-pyrrolidin-3-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 63300923
3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824323
3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid
CID 61408528
4-acetyl-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride
CID 119823292
2-oxo-N-propyl-N-pyrrolidin-3-ylchromene-3-carboxamide
CID 119531116

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide (CID 61406378) is N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide is CCCN(C(=O)c1cc2ccccc2s1)C1CCNCC1.
What is the InChIKey of N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide?
The InChIKey is BXPXIQTVSSXBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-2-11-19(14-7-9-18-10-8-14)17(20)16-12-13-5-3-4-6-15(13)21-16/h3-6,12,14,18H,2,7-11H2,1H3.
What are the key properties of N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide?
N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide has a molecular weight of 302.44 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 61406378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).