N-ethyl-N-(piperidin-2-ylmethyl)-4-thiophen-2-ylbutanamide

C16H26N2OS — CID 106626023

IUPACN-ethyl-N-(piperidin-2-ylmethyl)-4-thiophen-2-ylbutanamide
SMILESCCN(CC1CCCCN1)C(=O)CCCc1cccs1
InChIInChI=1S/C16H26N2OS/c1-2-18(13-14-7-3-4-11-17-14)16(19)10-5-8-15-9-6-12-20-15/h6,9,12,14,17H,2-5,7-8,10-11,13H2,1H3
InChIKeyURXWCHLMMLOKDB-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.06
Rot. Bonds7

About N-ethyl-N-(piperidin-2-ylmethyl)-4-thiophen-2-ylbutanamide

N-ethyl-N-(piperidin-2-ylmethyl)-4-thiophen-2-ylbutanamide (PubChem CID 106626023) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is N-ethyl-N-(piperidin-2-ylmethyl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-ethyl-N-(piperidin-2-ylmethyl)-4-thiophen-2-ylbutanamide
PubChem CID106626023
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC NameN-ethyl-N-(piperidin-2-ylmethyl)-4-thiophen-2-ylbutanamide
SMILESCCN(CC1CCCCN1)C(=O)CCCc1cccs1
InChIInChI=1S/C16H26N2OS/c1-2-18(13-14-7-3-4-11-17-14)16(19)10-5-8-15-9-6-12-20-15/h6,9,12,14,17H,2-5,7-8,10-11,13H2,1H3
InChIKeyURXWCHLMMLOKDB-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide
CID 106625496
N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
N-ethyl-3-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106608852
N-ethyl-2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)acetamide
CID 106626297
N-methyl-N-piperidin-3-yl-4-thiophen-2-ylbutanamide
CID 63642993
2-thiophen-2-ylethyl 3-piperidin-2-ylpropanoate
CID 62217215
N-methyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 106616083
N-ethyl-3-(oxolan-2-yl)-N-(piperidin-2-ylmethyl)propanamide
CID 106626168
N-(2-methoxyethyl)-2-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 61365241
N-(2-cyanopropyl)-N-ethyl-4-thiophen-2-ylbutanamide
CID 54979623
N-ethyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 106626211
N,N-bis(thiophen-2-ylmethyl)piperidine-2-carboxamide
CID 60936813

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(piperidin-2-ylmethyl)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-ethyl-N-(piperidin-2-ylmethyl)-4-thiophen-2-ylbutanamide (CID 106626023) is N-ethyl-N-(piperidin-2-ylmethyl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-ethyl-N-(piperidin-2-ylmethyl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-ethyl-N-(piperidin-2-ylmethyl)-4-thiophen-2-ylbutanamide is CCN(CC1CCCCN1)C(=O)CCCc1cccs1.
What is the InChIKey of N-ethyl-N-(piperidin-2-ylmethyl)-4-thiophen-2-ylbutanamide?
The InChIKey is URXWCHLMMLOKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-2-18(13-14-7-3-4-11-17-14)16(19)10-5-8-15-9-6-12-20-15/h6,9,12,14,17H,2-5,7-8,10-11,13H2,1H3.
What are the key properties of N-ethyl-N-(piperidin-2-ylmethyl)-4-thiophen-2-ylbutanamide?
N-ethyl-N-(piperidin-2-ylmethyl)-4-thiophen-2-ylbutanamide has a molecular weight of 294.46 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(piperidin-2-ylmethyl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 106626023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).