3-thiophen-2-yl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]prop-2-enamide

C18H22N2OS2 — CID 71961623

IUPAC3-thiophen-2-yl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]prop-2-enamide
SMILESO=C(C=Cc1cccs1)NCC1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C18H22N2OS2/c21-18(4-3-17-2-1-10-23-17)19-12-15-5-8-20(9-6-15)13-16-7-11-22-14-16/h1-4,7,10-11,14-15H,5-6,8-9,12-13H2,(H,19,21)
InChIKeyMEAWBRAOJADCRT-UHFFFAOYSA-N
MW346.52 g/mol
LogP3.85
Rot. Bonds6

About 3-thiophen-2-yl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]prop-2-enamide

3-thiophen-2-yl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]prop-2-enamide (PubChem CID 71961623) has the molecular formula C18H22N2OS2 and a molecular weight of 346.52 g/mol. Its IUPAC name is 3-thiophen-2-yl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]prop-2-enamide.

Molecular Properties

Compound Name3-thiophen-2-yl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]prop-2-enamide
PubChem CID71961623
Molecular FormulaC18H22N2OS2
Molecular Weight346.52 g/mol
Exact Mass346.12
IUPAC Name3-thiophen-2-yl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]prop-2-enamide
SMILESO=C(C=Cc1cccs1)NCC1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C18H22N2OS2/c21-18(4-3-17-2-1-10-23-17)19-12-15-5-8-20(9-6-15)13-16-7-11-22-14-16/h1-4,7,10-11,14-15H,5-6,8-9,12-13H2,(H,19,21)
InChIKeyMEAWBRAOJADCRT-UHFFFAOYSA-N
XLogP3.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 71961606
N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 121057584
1-tert-butyl-3-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]urea
CID 121057602
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 71960810
N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide
CID 131946230
1-(2-phenoxyethyl)-3-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]urea
CID 71796742
N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 131898411
2-[1-(thiophen-3-ylmethyl)piperidin-4-yl]ethanol
CID 121200335
N-[2-(cyclopropylamino)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 76948189
(E)-N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 896790
N-(piperidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide
CID 76922768
(E)-3-(3-nitrophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]prop-2-enamide
CID 49056995

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]prop-2-enamide?
The IUPAC name of 3-thiophen-2-yl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]prop-2-enamide (CID 71961623) is 3-thiophen-2-yl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]prop-2-enamide.
What is the SMILES notation for 3-thiophen-2-yl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]prop-2-enamide?
The canonical SMILES for 3-thiophen-2-yl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]prop-2-enamide is O=C(C=Cc1cccs1)NCC1CCN(Cc2ccsc2)CC1.
What is the InChIKey of 3-thiophen-2-yl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]prop-2-enamide?
The InChIKey is MEAWBRAOJADCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS2/c21-18(4-3-17-2-1-10-23-17)19-12-15-5-8-20(9-6-15)13-16-7-11-22-14-16/h1-4,7,10-11,14-15H,5-6,8-9,12-13H2,(H,19,21).
What are the key properties of 3-thiophen-2-yl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]prop-2-enamide?
3-thiophen-2-yl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]prop-2-enamide has a molecular weight of 346.52 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]prop-2-enamide is sourced from PubChem (CID 71961623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).