N-[1-[chloro-[4-[(3-cyanobenzoyl)amino]piperidin-1-yl]oxyphosphoryl]oxypiperidin-4-yl]-3-cyanobenzamide

C26H28ClN6O5P — CID 175065160

IUPACN-[1-[chloro-[4-[(3-cyanobenzoyl)amino]piperidin-1-yl]oxyphosphoryl]oxypiperidin-4-yl]-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)NC2CCN(OP(=O)(Cl)ON3CCC(NC(=O)c4cccc(C#N)c4)CC3)CC2)c1
InChIInChI=1S/C26H28ClN6O5P/c27-39(36,37-32-11-7-23(8-12-32)30-25(34)21-5-1-3-19(15-21)17-28)38-33-13-9-24(10-14-33)31-26(35)22-6-2-4-20(16-22)18-29/h1-6,15-16,23-24H,7-14H2,(H,30,34)(H,31,35)
InChIKeyYGLWISRMBNVVSI-UHFFFAOYSA-N
MW570.97 g/mol
LogP3.73
Rot. Bonds8

About N-[1-[chloro-[4-[(3-cyanobenzoyl)amino]piperidin-1-yl]oxyphosphoryl]oxypiperidin-4-yl]-3-cyanobenzamide

N-[1-[chloro-[4-[(3-cyanobenzoyl)amino]piperidin-1-yl]oxyphosphoryl]oxypiperidin-4-yl]-3-cyanobenzamide (PubChem CID 175065160) has the molecular formula C26H28ClN6O5P and a molecular weight of 570.97 g/mol. Its IUPAC name is N-[1-[chloro-[4-[(3-cyanobenzoyl)amino]piperidin-1-yl]oxyphosphoryl]oxypiperidin-4-yl]-3-cyanobenzamide.

Molecular Properties

Compound NameN-[1-[chloro-[4-[(3-cyanobenzoyl)amino]piperidin-1-yl]oxyphosphoryl]oxypiperidin-4-yl]-3-cyanobenzamide
PubChem CID175065160
Molecular FormulaC26H28ClN6O5P
Molecular Weight570.97 g/mol
Exact Mass570.15
IUPAC NameN-[1-[chloro-[4-[(3-cyanobenzoyl)amino]piperidin-1-yl]oxyphosphoryl]oxypiperidin-4-yl]-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)NC2CCN(OP(=O)(Cl)ON3CCC(NC(=O)c4cccc(C#N)c4)CC3)CC2)c1
InChIInChI=1S/C26H28ClN6O5P/c27-39(36,37-32-11-7-23(8-12-32)30-25(34)21-5-1-3-19(15-21)17-28)38-33-13-9-24(10-14-33)31-26(35)22-6-2-4-20(16-22)18-29/h1-6,15-16,23-24H,7-14H2,(H,30,34)(H,31,35)
InChIKeyYGLWISRMBNVVSI-UHFFFAOYSA-N
XLogP3.73
TPSA147.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.97
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[1-[chloro-[4-[(3-cyanobenzoyl)amino]piperidin-1-yl]oxyphosphoryl]oxypiperidin-4-yl]-3-cyanobenzamide with MolForge

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Related Compounds

N-(1-acetylpiperidin-4-yl)-3-cyanobenzamide
CID 46612755
methyl 4-[(3-cyanobenzoyl)amino]piperidine-1-carboxylate
CID 86841427
3-cyano-N-[1-[ethoxy(methyl)phosphoryl]piperidin-4-yl]benzamide;ethane
CID 144513048
N-(1-acetylpyrrolidin-3-yl)-3-cyanobenzamide
CID 110871344
3-cyano-N-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide
CID 95051706
3-cyano-N-[1-(furan-3-carbonyl)piperidin-4-yl]benzamide
CID 38209527
N-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110820488
3-cyano-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide
CID 110820149
3-cyano-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
CID 110819738
3-cyano-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 60630273
N-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110820497
3-cyano-N-(3,3-dimethylcyclopentyl)benzamide
CID 115880768

Frequently Asked Questions

What is the IUPAC name of N-[1-[chloro-[4-[(3-cyanobenzoyl)amino]piperidin-1-yl]oxyphosphoryl]oxypiperidin-4-yl]-3-cyanobenzamide?
The IUPAC name of N-[1-[chloro-[4-[(3-cyanobenzoyl)amino]piperidin-1-yl]oxyphosphoryl]oxypiperidin-4-yl]-3-cyanobenzamide (CID 175065160) is N-[1-[chloro-[4-[(3-cyanobenzoyl)amino]piperidin-1-yl]oxyphosphoryl]oxypiperidin-4-yl]-3-cyanobenzamide.
What is the SMILES notation for N-[1-[chloro-[4-[(3-cyanobenzoyl)amino]piperidin-1-yl]oxyphosphoryl]oxypiperidin-4-yl]-3-cyanobenzamide?
The canonical SMILES for N-[1-[chloro-[4-[(3-cyanobenzoyl)amino]piperidin-1-yl]oxyphosphoryl]oxypiperidin-4-yl]-3-cyanobenzamide is N#Cc1cccc(C(=O)NC2CCN(OP(=O)(Cl)ON3CCC(NC(=O)c4cccc(C#N)c4)CC3)CC2)c1.
What is the InChIKey of N-[1-[chloro-[4-[(3-cyanobenzoyl)amino]piperidin-1-yl]oxyphosphoryl]oxypiperidin-4-yl]-3-cyanobenzamide?
The InChIKey is YGLWISRMBNVVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN6O5P/c27-39(36,37-32-11-7-23(8-12-32)30-25(34)21-5-1-3-19(15-21)17-28)38-33-13-9-24(10-14-33)31-26(35)22-6-2-4-20(16-22)18-29/h1-6,15-16,23-24H,7-14H2,(H,30,34)(H,31,35).
What are the key properties of N-[1-[chloro-[4-[(3-cyanobenzoyl)amino]piperidin-1-yl]oxyphosphoryl]oxypiperidin-4-yl]-3-cyanobenzamide?
N-[1-[chloro-[4-[(3-cyanobenzoyl)amino]piperidin-1-yl]oxyphosphoryl]oxypiperidin-4-yl]-3-cyanobenzamide has a molecular weight of 570.97 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[chloro-[4-[(3-cyanobenzoyl)amino]piperidin-1-yl]oxyphosphoryl]oxypiperidin-4-yl]-3-cyanobenzamide is sourced from PubChem (CID 175065160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).