(E)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-thiophen-2-ylprop-2-enamide

C18H21N3OS — CID 51090453

IUPAC(E)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C18H21N3OS/c22-18(7-6-17-5-3-13-23-17)20-15-8-11-21(12-9-15)14-16-4-1-2-10-19-16/h1-7,10,13,15H,8-9,11-12,14H2,(H,20,22)/b7-6+
InChIKeyLTRYXPQQCUVVON-VOTSOKGWSA-N
MW327.45 g/mol
LogP2.94
Rot. Bonds5

About (E)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 51090453) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is (E)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-thiophen-2-ylprop-2-enamide
PubChem CID51090453
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name(E)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C18H21N3OS/c22-18(7-6-17-5-3-13-23-17)20-15-8-11-21(12-9-15)14-16-4-1-2-10-19-16/h1-7,10,13,15H,8-9,11-12,14H2,(H,20,22)/b7-6+
InChIKeyLTRYXPQQCUVVON-VOTSOKGWSA-N
XLogP2.94
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.94
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-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 51087555
(E)-N-cyclopentyl-3-thiophen-2-ylprop-2-enamide
CID 2164351
(E)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-3-thiophen-2-ylprop-2-enamide
CID 99696678
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55857840
2-(cyclopropylmethylamino)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide
CID 119901369
1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea
CID 100572605
N-[(3S)-pyrrolidin-3-yl]-3-thiophen-2-ylprop-2-enamide
CID 79688551
3-[5-chloro-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;trihydrochloride
CID 173124826
N-cyclopent-3-en-1-yl-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 86797484
1-cyclobutyl-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 119153797

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-thiophen-2-ylprop-2-enamide (CID 51090453) is (E)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)NC1CCN(Cc2ccccn2)CC1.
What is the InChIKey of (E)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is LTRYXPQQCUVVON-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H21N3OS/c22-18(7-6-17-5-3-13-23-17)20-15-8-11-21(12-9-15)14-16-4-1-2-10-19-16/h1-7,10,13,15H,8-9,11-12,14H2,(H,20,22)/b7-6+.
What are the key properties of (E)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 327.45 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 51090453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).