N-(piperidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide

C13H18N2OS — CID 76922768

IUPACN-(piperidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)NCC1CCCCN1
InChIInChI=1S/C13H18N2OS/c16-13(7-6-12-5-3-9-17-12)15-10-11-4-1-2-8-14-11/h3,5-7,9,11,14H,1-2,4,8,10H2,(H,15,16)
InChIKeySGCHWNCNKGNPCK-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.02
Rot. Bonds4

About N-(piperidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide

N-(piperidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 76922768) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID76922768
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-(piperidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)NCC1CCCCN1
InChIInChI=1S/C13H18N2OS/c16-13(7-6-12-5-3-9-17-12)15-10-11-4-1-2-8-14-11/h3,5-7,9,11,14H,1-2,4,8,10H2,(H,15,16)
InChIKeySGCHWNCNKGNPCK-UHFFFAOYSA-N
XLogP2.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide
CID 104971901
(E)-N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 896790
(E)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide
CID 104974146
N-[2-(cyclopropylamino)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 76948189
N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 71961606
N-[(3S)-pyrrolidin-3-yl]-3-thiophen-2-ylprop-2-enamide
CID 79688551
N-(2-hydroxycyclohexyl)-3-thiophen-2-ylprop-2-enamide
CID 76941528
(E)-N-[(3R)-piperidin-3-yl]-3-thiophen-2-ylprop-2-enamide
CID 104645422
(Z)-N-[(1S,2R)-2-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide
CID 92909639
(E)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 115362327
3-thiophen-2-yl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]prop-2-enamide
CID 71961623
(E)-3-thiophen-2-yl-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 17407233

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-(piperidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide (CID 76922768) is N-(piperidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-(piperidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-(piperidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide is O=C(C=Cc1cccs1)NCC1CCCCN1.
What is the InChIKey of N-(piperidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is SGCHWNCNKGNPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c16-13(7-6-12-5-3-9-17-12)15-10-11-4-1-2-8-14-11/h3,5-7,9,11,14H,1-2,4,8,10H2,(H,15,16).
What are the key properties of N-(piperidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide?
N-(piperidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 250.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 76922768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).