(Z)-N-methyl-2-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-N-phenylbut-2-enamide

C19H27N3O2 — CID 177014936

IUPAC(Z)-N-methyl-2-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-N-phenylbut-2-enamide
SMILESC/C=C(/CN1CCN(C2COC2)CC1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C19H27N3O2/c1-3-16(19(23)20(2)17-7-5-4-6-8-17)13-21-9-11-22(12-10-21)18-14-24-15-18/h3-8,18H,9-15H2,1-2H3/b16-3-
InChIKeyXPWMLEXDNQNRKJ-XFQLMFQHSA-N
MW329.44 g/mol
LogP1.61
Rot. Bonds5

About (Z)-N-methyl-2-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-N-phenylbut-2-enamide

(Z)-N-methyl-2-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-N-phenylbut-2-enamide (PubChem CID 177014936) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (Z)-N-methyl-2-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-N-phenylbut-2-enamide.

Molecular Properties

Compound Name(Z)-N-methyl-2-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-N-phenylbut-2-enamide
PubChem CID177014936
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(Z)-N-methyl-2-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-N-phenylbut-2-enamide
SMILESC/C=C(/CN1CCN(C2COC2)CC1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C19H27N3O2/c1-3-16(19(23)20(2)17-7-5-4-6-8-17)13-21-9-11-22(12-10-21)18-14-24-15-18/h3-8,18H,9-15H2,1-2H3/b16-3-
InChIKeyXPWMLEXDNQNRKJ-XFQLMFQHSA-N
XLogP1.61
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.61
H-Bond Donors ≤ 50
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 (Z)-N-methyl-2-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-N-phenylbut-2-enamide?
The IUPAC name of (Z)-N-methyl-2-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-N-phenylbut-2-enamide (CID 177014936) is (Z)-N-methyl-2-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-N-phenylbut-2-enamide.
What is the SMILES notation for (Z)-N-methyl-2-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-N-phenylbut-2-enamide?
The canonical SMILES for (Z)-N-methyl-2-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-N-phenylbut-2-enamide is C/C=C(/CN1CCN(C2COC2)CC1)C(=O)N(C)c1ccccc1.
What is the InChIKey of (Z)-N-methyl-2-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-N-phenylbut-2-enamide?
The InChIKey is XPWMLEXDNQNRKJ-XFQLMFQHSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-3-16(19(23)20(2)17-7-5-4-6-8-17)13-21-9-11-22(12-10-21)18-14-24-15-18/h3-8,18H,9-15H2,1-2H3/b16-3-.
What are the key properties of (Z)-N-methyl-2-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-N-phenylbut-2-enamide?
(Z)-N-methyl-2-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-N-phenylbut-2-enamide has a molecular weight of 329.44 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-2-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-N-phenylbut-2-enamide is sourced from PubChem (CID 177014936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).