N-[(Z)-1-diethoxyphosphoryl-2-piperidin-1-ylethenyl]benzamide

C18H27N2O4P — CID 2829765

IUPACN-[(Z)-1-diethoxyphosphoryl-2-piperidin-1-ylethenyl]benzamide
SMILESCCOP(=O)(OCC)/C(=C\N1CCCCC1)NC(=O)c1ccccc1
InChIInChI=1S/C18H27N2O4P/c1-3-23-25(22,24-4-2)17(15-20-13-9-6-10-14-20)19-18(21)16-11-7-5-8-12-16/h5,7-8,11-12,15H,3-4,6,9-10,13-14H2,1-2H3,(H,19,21)/b17-15-
InChIKeyGXKUAJBUNCEGNK-ICFOKQHNSA-N
MW366.40 g/mol
LogP3.97
Rot. Bonds8

About N-[(Z)-1-diethoxyphosphoryl-2-piperidin-1-ylethenyl]benzamide

N-[(Z)-1-diethoxyphosphoryl-2-piperidin-1-ylethenyl]benzamide (PubChem CID 2829765) has the molecular formula C18H27N2O4P and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[(Z)-1-diethoxyphosphoryl-2-piperidin-1-ylethenyl]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-diethoxyphosphoryl-2-piperidin-1-ylethenyl]benzamide
PubChem CID2829765
Molecular FormulaC18H27N2O4P
Molecular Weight366.40 g/mol
Exact Mass366.17
IUPAC NameN-[(Z)-1-diethoxyphosphoryl-2-piperidin-1-ylethenyl]benzamide
SMILESCCOP(=O)(OCC)/C(=C\N1CCCCC1)NC(=O)c1ccccc1
InChIInChI=1S/C18H27N2O4P/c1-3-23-25(22,24-4-2)17(15-20-13-9-6-10-14-20)19-18(21)16-11-7-5-8-12-16/h5,7-8,11-12,15H,3-4,6,9-10,13-14H2,1-2H3,(H,19,21)/b17-15-
InChIKeyGXKUAJBUNCEGNK-ICFOKQHNSA-N
XLogP3.97
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-diethoxyphosphoryl-3-morpholin-4-yl-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 6104632
[(Z)-1-diethoxyphosphorylprop-1-enyl]benzene
CID 15103917
N-[(Z)-1-diethoxyphosphoryl-3-oxo-1-phenyl-3-(pyrimidin-2-ylamino)prop-1-en-2-yl]benzamide
CID 2308943
N-[(1S)-1-diethoxyphosphoryl-2-oxoethyl]benzamide
CID 40537671
N-diethoxyphosphinothioylbenzamide
CID 131847254
(Z)-2-diethoxyphosphoryl-1-ethoxy-2-phenylethenol
CID 134873610
ethyl (Z)-2-benzamido-4-[ethoxy(methyl)phosphoryl]but-2-enoate
CID 68912357
(Z)-2-benzamido-3-[ethoxy(phenyl)phosphoryl]-3-phenylprop-2-enoic acid
CID 2053046
(E)-2-benzamido-3-[ethoxy(phenyl)phosphoryl]-3-phenylprop-2-enoic acid
CID 11863428
N-[[diethoxyphosphoryl(phenyl)methylidene]amino]-2-hydroxybenzamide
CID 2305451
N-[(E)-[diethoxyphosphoryl(phenyl)methylidene]amino]-2-hydroxybenzamide
CID 6898837
(E)-3-diethoxyphosphoryl-1-phenylprop-2-en-1-one
CID 11850559

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-diethoxyphosphoryl-2-piperidin-1-ylethenyl]benzamide?
The IUPAC name of N-[(Z)-1-diethoxyphosphoryl-2-piperidin-1-ylethenyl]benzamide (CID 2829765) is N-[(Z)-1-diethoxyphosphoryl-2-piperidin-1-ylethenyl]benzamide.
What is the SMILES notation for N-[(Z)-1-diethoxyphosphoryl-2-piperidin-1-ylethenyl]benzamide?
The canonical SMILES for N-[(Z)-1-diethoxyphosphoryl-2-piperidin-1-ylethenyl]benzamide is CCOP(=O)(OCC)/C(=C\N1CCCCC1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(Z)-1-diethoxyphosphoryl-2-piperidin-1-ylethenyl]benzamide?
The InChIKey is GXKUAJBUNCEGNK-ICFOKQHNSA-N. The full InChI is InChI=1S/C18H27N2O4P/c1-3-23-25(22,24-4-2)17(15-20-13-9-6-10-14-20)19-18(21)16-11-7-5-8-12-16/h5,7-8,11-12,15H,3-4,6,9-10,13-14H2,1-2H3,(H,19,21)/b17-15-.
What are the key properties of N-[(Z)-1-diethoxyphosphoryl-2-piperidin-1-ylethenyl]benzamide?
N-[(Z)-1-diethoxyphosphoryl-2-piperidin-1-ylethenyl]benzamide has a molecular weight of 366.40 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-diethoxyphosphoryl-2-piperidin-1-ylethenyl]benzamide is sourced from PubChem (CID 2829765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).