(E)-N-[(3R)-piperidin-3-yl]-3-thiophen-2-ylprop-2-enamide

C12H16N2OS — CID 104645422

IUPAC(E)-N-[(3R)-piperidin-3-yl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)N[C@@H]1CCCNC1
InChIInChI=1S/C12H16N2OS/c15-12(6-5-11-4-2-8-16-11)14-10-3-1-7-13-9-10/h2,4-6,8,10,13H,1,3,7,9H2,(H,14,15)/b6-5+/t10-/m1/s1
InChIKeyCVCQJGWIEKMOIC-BRAIEQGRSA-N
MW236.34 g/mol
LogP1.63
Rot. Bonds3

About (E)-N-[(3R)-piperidin-3-yl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[(3R)-piperidin-3-yl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 104645422) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is (E)-N-[(3R)-piperidin-3-yl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(3R)-piperidin-3-yl]-3-thiophen-2-ylprop-2-enamide
PubChem CID104645422
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name(E)-N-[(3R)-piperidin-3-yl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)N[C@@H]1CCCNC1
InChIInChI=1S/C12H16N2OS/c15-12(6-5-11-4-2-8-16-11)14-10-3-1-7-13-9-10/h2,4-6,8,10,13H,1,3,7,9H2,(H,14,15)/b6-5+/t10-/m1/s1
InChIKeyCVCQJGWIEKMOIC-BRAIEQGRSA-N
XLogP1.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.63
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

N-[(3S)-pyrrolidin-3-yl]-3-thiophen-2-ylprop-2-enamide
CID 79688551
(E)-N-cyclopentyl-3-thiophen-2-ylprop-2-enamide
CID 2164351
N-(2-hydroxycyclohexyl)-3-thiophen-2-ylprop-2-enamide
CID 76941528
(E)-N-(2-hydroxycycloheptyl)-3-thiophen-2-ylprop-2-enamide
CID 113394904
(Z)-N-[(1S,2R)-2-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide
CID 92909639
(E)-3-(4-methoxyphenyl)-N-[(3S)-piperidin-3-yl]prop-2-enamide
CID 103866686
(E)-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-thiophen-2-ylprop-2-enamide
CID 8899095
(E)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide
CID 104971901
N-(piperidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide
CID 76922768
(E)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-3-thiophen-2-ylprop-2-enamide
CID 99696678
(E)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-thiophen-2-ylprop-2-enamide
CID 51090453
N-(3-piperidin-4-yloxypropyl)-3-thiophen-2-ylprop-2-enamide
CID 77009043

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3R)-piperidin-3-yl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[(3R)-piperidin-3-yl]-3-thiophen-2-ylprop-2-enamide (CID 104645422) is (E)-N-[(3R)-piperidin-3-yl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[(3R)-piperidin-3-yl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[(3R)-piperidin-3-yl]-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)N[C@@H]1CCCNC1.
What is the InChIKey of (E)-N-[(3R)-piperidin-3-yl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is CVCQJGWIEKMOIC-BRAIEQGRSA-N. The full InChI is InChI=1S/C12H16N2OS/c15-12(6-5-11-4-2-8-16-11)14-10-3-1-7-13-9-10/h2,4-6,8,10,13H,1,3,7,9H2,(H,14,15)/b6-5+/t10-/m1/s1.
What are the key properties of (E)-N-[(3R)-piperidin-3-yl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[(3R)-piperidin-3-yl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 236.34 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3R)-piperidin-3-yl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 104645422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).