N-(2-ethyl-1-thiophen-2-ylbutyl)piperidine-3-carboxamide

C16H26N2OS — CID 119300996

IUPACN-(2-ethyl-1-thiophen-2-ylbutyl)piperidine-3-carboxamide
SMILESCCC(CC)C(NC(=O)C1CCCNC1)c1cccs1
InChIInChI=1S/C16H26N2OS/c1-3-12(4-2)15(14-8-6-10-20-14)18-16(19)13-7-5-9-17-11-13/h6,8,10,12-13,15,17H,3-5,7,9,11H2,1-2H3,(H,18,19)
InChIKeyHDXDESJDRARBLC-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.34
Rot. Bonds6

About N-(2-ethyl-1-thiophen-2-ylbutyl)piperidine-3-carboxamide

N-(2-ethyl-1-thiophen-2-ylbutyl)piperidine-3-carboxamide (PubChem CID 119300996) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is N-(2-ethyl-1-thiophen-2-ylbutyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-1-thiophen-2-ylbutyl)piperidine-3-carboxamide
PubChem CID119300996
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC NameN-(2-ethyl-1-thiophen-2-ylbutyl)piperidine-3-carboxamide
SMILESCCC(CC)C(NC(=O)C1CCCNC1)c1cccs1
InChIInChI=1S/C16H26N2OS/c1-3-12(4-2)15(14-8-6-10-20-14)18-16(19)13-7-5-9-17-11-13/h6,8,10,12-13,15,17H,3-5,7,9,11H2,1-2H3,(H,18,19)
InChIKeyHDXDESJDRARBLC-UHFFFAOYSA-N
XLogP3.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(1-thiophen-2-ylpropyl)piperidine-3-carboxamide
CID 81139457
(3R)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide
CID 81124404
N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide
CID 43709154
4-[(2-ethyl-1-thiophen-2-ylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673032
N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 63006092
N-(1-phenylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119279865
N-(2-ethyl-1-thiophen-2-ylbutyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 55904545
2-piperidin-3-yl-N-(1-thiophen-2-ylpropyl)acetamide
CID 62676887
(3R)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 81123819
N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide;hydrochloride
CID 119270431
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 119829137
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119736196

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-1-thiophen-2-ylbutyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-ethyl-1-thiophen-2-ylbutyl)piperidine-3-carboxamide (CID 119300996) is N-(2-ethyl-1-thiophen-2-ylbutyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-ethyl-1-thiophen-2-ylbutyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-ethyl-1-thiophen-2-ylbutyl)piperidine-3-carboxamide is CCC(CC)C(NC(=O)C1CCCNC1)c1cccs1.
What is the InChIKey of N-(2-ethyl-1-thiophen-2-ylbutyl)piperidine-3-carboxamide?
The InChIKey is HDXDESJDRARBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-3-12(4-2)15(14-8-6-10-20-14)18-16(19)13-7-5-9-17-11-13/h6,8,10,12-13,15,17H,3-5,7,9,11H2,1-2H3,(H,18,19).
What are the key properties of N-(2-ethyl-1-thiophen-2-ylbutyl)piperidine-3-carboxamide?
N-(2-ethyl-1-thiophen-2-ylbutyl)piperidine-3-carboxamide has a molecular weight of 294.46 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-1-thiophen-2-ylbutyl)piperidine-3-carboxamide is sourced from PubChem (CID 119300996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).