N-(3-piperidin-4-yloxypropyl)-3-thiophen-2-ylprop-2-enamide

C15H22N2O2S — CID 77009043

IUPACN-(3-piperidin-4-yloxypropyl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)NCCCOC1CCNCC1
InChIInChI=1S/C15H22N2O2S/c18-15(5-4-14-3-1-12-20-14)17-8-2-11-19-13-6-9-16-10-7-13/h1,3-5,12-13,16H,2,6-11H2,(H,17,18)
InChIKeyZASYYCSWUCALMT-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.04
Rot. Bonds7

About N-(3-piperidin-4-yloxypropyl)-3-thiophen-2-ylprop-2-enamide

N-(3-piperidin-4-yloxypropyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 77009043) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(3-piperidin-4-yloxypropyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-(3-piperidin-4-yloxypropyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID77009043
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-(3-piperidin-4-yloxypropyl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)NCCCOC1CCNCC1
InChIInChI=1S/C15H22N2O2S/c18-15(5-4-14-3-1-12-20-14)17-8-2-11-19-13-6-9-16-10-7-13/h1,3-5,12-13,16H,2,6-11H2,(H,17,18)
InChIKeyZASYYCSWUCALMT-UHFFFAOYSA-N
XLogP2.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-piperidin-4-yloxypropyl)thiophene-2-carboxamide
CID 63870121
N-(3-piperidin-4-yloxypropyl)but-2-enamide
CID 77009028
N-[2-(cyclopropylamino)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 76948189
4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]butanoic acid
CID 24708663
(E)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide
CID 104971901
(E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide;hydrochloride
CID 131668133
N-[(3S)-pyrrolidin-3-yl]-3-thiophen-2-ylprop-2-enamide
CID 79688551
N-(piperidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide
CID 76922768
(E)-N-(3-cyclohexyloxypropyl)-3-(2-fluorophenyl)prop-2-enamide
CID 134030048
3-piperidin-4-yloxypropylcarbamic acid
CID 166772010
(E)-N-[(3R)-piperidin-3-yl]-3-thiophen-2-ylprop-2-enamide
CID 104645422
(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-(3-piperidin-4-yloxypropyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-(3-piperidin-4-yloxypropyl)-3-thiophen-2-ylprop-2-enamide (CID 77009043) is N-(3-piperidin-4-yloxypropyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-(3-piperidin-4-yloxypropyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-(3-piperidin-4-yloxypropyl)-3-thiophen-2-ylprop-2-enamide is O=C(C=Cc1cccs1)NCCCOC1CCNCC1.
What is the InChIKey of N-(3-piperidin-4-yloxypropyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is ZASYYCSWUCALMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c18-15(5-4-14-3-1-12-20-14)17-8-2-11-19-13-6-9-16-10-7-13/h1,3-5,12-13,16H,2,6-11H2,(H,17,18).
What are the key properties of N-(3-piperidin-4-yloxypropyl)-3-thiophen-2-ylprop-2-enamide?
N-(3-piperidin-4-yloxypropyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 294.42 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-4-yloxypropyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 77009043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).