N-ethyl-N-(piperidin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide

C17H26N2OS — CID 106629361

IUPACN-ethyl-N-(piperidin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
SMILESCCN(CC1CCCNC1)C(=O)C1CCCc2sccc21
InChIInChI=1S/C17H26N2OS/c1-2-19(12-13-5-4-9-18-11-13)17(20)15-6-3-7-16-14(15)8-10-21-16/h8,10,13,15,18H,2-7,9,11-12H2,1H3
InChIKeyHZQJZECGVGZPJW-UHFFFAOYSA-N
MW306.47 g/mol
LogP3.02
Rot. Bonds4

About N-ethyl-N-(piperidin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide

N-ethyl-N-(piperidin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide (PubChem CID 106629361) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is N-ethyl-N-(piperidin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(piperidin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
PubChem CID106629361
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC NameN-ethyl-N-(piperidin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
SMILESCCN(CC1CCCNC1)C(=O)C1CCCc2sccc21
InChIInChI=1S/C17H26N2OS/c1-2-19(12-13-5-4-9-18-11-13)17(20)15-6-3-7-16-14(15)8-10-21-16/h8,10,13,15,18H,2-7,9,11-12H2,1H3
InChIKeyHZQJZECGVGZPJW-UHFFFAOYSA-N
XLogP3.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106893490
N-ethyl-N-(piperidin-3-ylmethyl)propanamide
CID 106629408
N-ethyl-N-(piperidin-3-ylmethyl)thiolane-3-carboxamide
CID 106629562
2-[(2-amino-2-oxoethyl)-(4,5,6,7-tetrahydro-1-benzothiophene-4-carbonyl)amino]acetic acid
CID 107434042
benzyl N-ethyl-N-(piperidin-3-ylmethyl)carbamate
CID 66569373
5-chloro-N-ethyl-N-(piperidin-3-ylmethyl)furan-2-carboxamide
CID 106629633
N-(5-hydroxypentyl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
CID 107202233
N-ethyl-N-(piperidin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 106629590
N-(cyanomethyl)-N-prop-2-ynyl-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
CID 114208823
1,3-diethyl-1-(piperidin-3-ylmethyl)urea
CID 106629944
N,1-diethyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide
CID 106629268
N-ethyl-2-(4-methoxyphenyl)-N-(piperidin-3-ylmethyl)acetamide
CID 106629299

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(piperidin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide?
The IUPAC name of N-ethyl-N-(piperidin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide (CID 106629361) is N-ethyl-N-(piperidin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide.
What is the SMILES notation for N-ethyl-N-(piperidin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide?
The canonical SMILES for N-ethyl-N-(piperidin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide is CCN(CC1CCCNC1)C(=O)C1CCCc2sccc21.
What is the InChIKey of N-ethyl-N-(piperidin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide?
The InChIKey is HZQJZECGVGZPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-2-19(12-13-5-4-9-18-11-13)17(20)15-6-3-7-16-14(15)8-10-21-16/h8,10,13,15,18H,2-7,9,11-12H2,1H3.
What are the key properties of N-ethyl-N-(piperidin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide?
N-ethyl-N-(piperidin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide has a molecular weight of 306.47 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(piperidin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide is sourced from PubChem (CID 106629361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).