3-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]prop-2-enamide

C19H22N4O — CID 71960811

IUPAC3-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]prop-2-enamide
SMILESO=C(C=Cc1ccccc1)NCC1CCN(c2cnccn2)CC1
InChIInChI=1S/C19H22N4O/c24-19(7-6-16-4-2-1-3-5-16)22-14-17-8-12-23(13-9-17)18-15-20-10-11-21-18/h1-7,10-11,15,17H,8-9,12-14H2,(H,22,24)
InChIKeyNMZGXGKEWHHDFR-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.52
Rot. Bonds5

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

3-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]prop-2-enamide (PubChem CID 71960811) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name3-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]prop-2-enamide
PubChem CID71960811
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name3-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]prop-2-enamide
SMILESO=C(C=Cc1ccccc1)NCC1CCN(c2cnccn2)CC1
InChIInChI=1S/C19H22N4O/c24-19(7-6-16-4-2-1-3-5-16)22-14-17-8-12-23(13-9-17)18-15-20-10-11-21-18/h1-7,10-11,15,17H,8-9,12-14H2,(H,22,24)
InChIKeyNMZGXGKEWHHDFR-UHFFFAOYSA-N
XLogP2.52
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.52
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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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]prop-2-enamide?
The IUPAC name of 3-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]prop-2-enamide (CID 71960811) is 3-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]prop-2-enamide.
What is the SMILES notation for 3-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]prop-2-enamide?
The canonical SMILES for 3-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]prop-2-enamide is O=C(C=Cc1ccccc1)NCC1CCN(c2cnccn2)CC1.
What is the InChIKey of 3-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]prop-2-enamide?
The InChIKey is NMZGXGKEWHHDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c24-19(7-6-16-4-2-1-3-5-16)22-14-17-8-12-23(13-9-17)18-15-20-10-11-21-18/h1-7,10-11,15,17H,8-9,12-14H2,(H,22,24).
What are the key properties of 3-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]prop-2-enamide?
3-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]prop-2-enamide has a molecular weight of 322.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]prop-2-enamide is sourced from PubChem (CID 71960811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).