N-(2-methoxyethyl)-3-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]propanamide

C17H26N2O3S — CID 23723469

IUPACN-(2-methoxyethyl)-3-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]propanamide
SMILESCOCCNC(=O)CCC1CCN(C(=O)Cc2ccsc2)CC1
InChIInChI=1S/C17H26N2O3S/c1-22-10-7-18-16(20)3-2-14-4-8-19(9-5-14)17(21)12-15-6-11-23-13-15/h6,11,13-14H,2-5,7-10,12H2,1H3,(H,18,20)
InChIKeyLWGPPIHQOUXQLQ-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.07
Rot. Bonds8

About N-(2-methoxyethyl)-3-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]propanamide

N-(2-methoxyethyl)-3-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]propanamide (PubChem CID 23723469) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]propanamide
PubChem CID23723469
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-(2-methoxyethyl)-3-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]propanamide
SMILESCOCCNC(=O)CCC1CCN(C(=O)Cc2ccsc2)CC1
InChIInChI=1S/C17H26N2O3S/c1-22-10-7-18-16(20)3-2-14-4-8-19(9-5-14)17(21)12-15-6-11-23-13-15/h6,11,13-14H,2-5,7-10,12H2,1H3,(H,18,20)
InChIKeyLWGPPIHQOUXQLQ-UHFFFAOYSA-N
XLogP2.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-Thiophen-3-ylpropanoyl)piperidine-4-carboxamide
CID 9117696
cis-(1S,2R)-2-(aminomethyl)-N-(2-fluoroprop-2-enyl)-N-(2-methoxyethyl)-1-thiophen-3-ylcyclopropane-1-carboxamide
CID 44448389
cis-(1S,2R)-2-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-ynyl-1-thiophen-3-ylcyclopropane-1-carboxamide
CID 44448391
cis-(1S,2R)-2-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-1-thiophen-3-ylcyclopropane-1-carboxamide
CID 44448423
cis-(1S,2R)-2-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enyl-1-thiophen-3-ylcyclopropane-1-carboxamide
CID 44448426
1-(2-Thiophen-3-ylacetyl)piperidine-4-carboxamide
CID 24685250
N-[2-(morpholin-4-yl)ethyl]-2-(thiophen-2-yl)acetamide
CID 670829
N-cyclopropyl-N-(2-methoxyethyl)-3-thiophen-3-ylpropanamide
CID 45828613
1-[4-(2-Methoxyacetyl)piperazin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 53522132
5-Methyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118738877
1-(2,9-Diazaspiro[4.5]decan-2-yl)-2-thiophen-3-ylethanone
CID 172434200
N-[3-(morpholin-4-yl)propyl]-2-(thiophen-2-yl)acetamide
CID 2582267

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]propanamide (CID 23723469) is N-(2-methoxyethyl)-3-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]propanamide is COCCNC(=O)CCC1CCN(C(=O)Cc2ccsc2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-3-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]propanamide?
The InChIKey is LWGPPIHQOUXQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-22-10-7-18-16(20)3-2-14-4-8-19(9-5-14)17(21)12-15-6-11-23-13-15/h6,11,13-14H,2-5,7-10,12H2,1H3,(H,18,20).
What are the key properties of N-(2-methoxyethyl)-3-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]propanamide?
N-(2-methoxyethyl)-3-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]propanamide has a molecular weight of 338.47 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 23723469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).