3-(furan-2-yl)-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]prop-2-enamide

C18H21N3O2 — CID 71961619

IUPAC3-(furan-2-yl)-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]prop-2-enamide
SMILESO=C(C=Cc1ccco1)NCC1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H21N3O2/c22-18(7-6-16-4-3-13-23-16)20-14-15-8-11-21(12-9-15)17-5-1-2-10-19-17/h1-7,10,13,15H,8-9,11-12,14H2,(H,20,22)
InChIKeyXQUSPSKMILQNQN-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.72
Rot. Bonds5

About 3-(furan-2-yl)-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]prop-2-enamide

3-(furan-2-yl)-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]prop-2-enamide (PubChem CID 71961619) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]prop-2-enamide
PubChem CID71961619
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name3-(furan-2-yl)-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]prop-2-enamide
SMILESO=C(C=Cc1ccco1)NCC1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H21N3O2/c22-18(7-6-16-4-3-13-23-16)20-14-15-8-11-21(12-9-15)17-5-1-2-10-19-17/h1-7,10,13,15H,8-9,11-12,14H2,(H,20,22)
InChIKeyXQUSPSKMILQNQN-UHFFFAOYSA-N
XLogP2.72
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.72
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

3-(furan-2-yl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]prop-2-enamide
CID 71961365
4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 104963667
3-(furan-2-yl)-N-(piperidin-4-ylmethyl)prop-2-enamide
CID 76923291
3-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]prop-2-enamide
CID 71960811
1-(oxolan-2-ylmethyl)-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]urea
CID 91812788
(E)-3-(furan-2-yl)-N-[(1-phenylpyrrolidin-2-yl)methyl]prop-2-enamide
CID 72719259
2-[[3-(furan-2-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid
CID 77103563
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 71960810
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide
CID 102604020
(E)-N-[2-(cycloheptylamino)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 81483200
2-(cyclopropylmethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 60867246
N-[[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]methyl]-3-phenylsulfanylpropanamide
CID 71961558

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]prop-2-enamide (CID 71961619) is 3-(furan-2-yl)-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]prop-2-enamide is O=C(C=Cc1ccco1)NCC1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-(furan-2-yl)-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]prop-2-enamide?
The InChIKey is XQUSPSKMILQNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-18(7-6-16-4-3-13-23-16)20-14-15-8-11-21(12-9-15)17-5-1-2-10-19-17/h1-7,10,13,15H,8-9,11-12,14H2,(H,20,22).
What are the key properties of 3-(furan-2-yl)-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]prop-2-enamide?
3-(furan-2-yl)-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]prop-2-enamide has a molecular weight of 311.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]prop-2-enamide is sourced from PubChem (CID 71961619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).