(4-azidopiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone;N,N-diethyl-3-phenyloxaziridine-2-carboxamide;(3-phenyloxaziridin-2-yl)-piperidin-1-ylmethanone

C38H47N9O6 — CID 163600008

IUPAC(4-azidopiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone;N,N-diethyl-3-phenyloxaziridine-2-carboxamide;(3-phenyloxaziridin-2-yl)-piperidin-1-ylmethanone
SMILESCCN(CC)C(=O)N1OC1c1ccccc1.O=C(N1CCCCC1)N1OC1c1ccccc1.[N-]=[N+]=NC1CCN(C(=O)N2OC2c2ccccc2)CC1
InChIInChI=1S/C13H15N5O2.C13H16N2O2.C12H16N2O2/c14-16-15-11-6-8-17(9-7-11)13(19)18-12(20-18)10-4-2-1-3-5-10;16-13(14-9-5-2-6-10-14)15-12(17-15)11-7-3-1-4-8-11;1-3-13(4-2)12(15)14-11(16-14)10-8-6-5-7-9-10/h1-5,11-12H,6-9H2;1,3-4,7-8,12H,2,5-6,9-10H2;5-9,11H,3-4H2,1-2H3
InChIKeyGWUDRTWIUDKEIX-UHFFFAOYSA-N
MW725.85 g/mol
LogP7.76
Rot. Bonds6

About (4-azidopiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone;N,N-diethyl-3-phenyloxaziridine-2-carboxamide;(3-phenyloxaziridin-2-yl)-piperidin-1-ylmethanone

(4-azidopiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone;N,N-diethyl-3-phenyloxaziridine-2-carboxamide;(3-phenyloxaziridin-2-yl)-piperidin-1-ylmethanone (PubChem CID 163600008) has the molecular formula C38H47N9O6 and a molecular weight of 725.85 g/mol. Its IUPAC name is (4-azidopiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone;N,N-diethyl-3-phenyloxaziridine-2-carboxamide;(3-phenyloxaziridin-2-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-azidopiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone;N,N-diethyl-3-phenyloxaziridine-2-carboxamide;(3-phenyloxaziridin-2-yl)-piperidin-1-ylmethanone
PubChem CID163600008
Molecular FormulaC38H47N9O6
Molecular Weight725.85 g/mol
Exact Mass725.36
IUPAC Name(4-azidopiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone;N,N-diethyl-3-phenyloxaziridine-2-carboxamide;(3-phenyloxaziridin-2-yl)-piperidin-1-ylmethanone
SMILESCCN(CC)C(=O)N1OC1c1ccccc1.O=C(N1CCCCC1)N1OC1c1ccccc1.[N-]=[N+]=NC1CCN(C(=O)N2OC2c2ccccc2)CC1
InChIInChI=1S/C13H15N5O2.C13H16N2O2.C12H16N2O2/c14-16-15-11-6-8-17(9-7-11)13(19)18-12(20-18)10-4-2-1-3-5-10;16-13(14-9-5-2-6-10-14)15-12(17-15)11-7-3-1-4-8-11;1-3-13(4-2)12(15)14-11(16-14)10-8-6-5-7-9-10/h1-5,11-12H,6-9H2;1,3-4,7-8,12H,2,5-6,9-10H2;5-9,11H,3-4H2,1-2H3
InChIKeyGWUDRTWIUDKEIX-UHFFFAOYSA-N
XLogP7.76
TPSA156.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.85
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (4-azidopiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone;N,N-diethyl-3-phenyloxaziridine-2-carboxamide;(3-phenyloxaziridin-2-yl)-piperidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-phenoxypiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone
CID 169211388
N,N-dicyclohexyl-3-(4-phenylphenyl)oxaziridine-2-carboxamide
CID 146394219
[3-(oxolan-3-yl)azepan-1-yl]-(3-phenyloxaziridin-2-yl)methanone
CID 169211319
2-azaspiro[3.5]nonan-2-yl-(3-phenyloxaziridin-2-yl)methanone
CID 169211324
[2-(fluoromethyl)pyrrolidin-1-yl]-(3-phenyloxaziridin-2-yl)methanone
CID 169211455
(3S)-1-N,1-N-diethyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 51941062
(3R)-1-N,1-N-diethyl-3-N-[(2R)-2-phenylpropyl]piperidine-1,3-dicarboxamide
CID 51941120
(4-azidopiperidin-1-yl)-naphthalen-2-ylmethanone
CID 151106510
7-methyl-2-(3-phenyloxaziridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 169211424
1-[ethyl(phenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318507
N-ethyl-N-phenylpiperidine-1-carboxamide
CID 108987918
N-ethyl-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 115578683

Frequently Asked Questions

What is the IUPAC name of (4-azidopiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone;N,N-diethyl-3-phenyloxaziridine-2-carboxamide;(3-phenyloxaziridin-2-yl)-piperidin-1-ylmethanone?
The IUPAC name of (4-azidopiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone;N,N-diethyl-3-phenyloxaziridine-2-carboxamide;(3-phenyloxaziridin-2-yl)-piperidin-1-ylmethanone (CID 163600008) is (4-azidopiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone;N,N-diethyl-3-phenyloxaziridine-2-carboxamide;(3-phenyloxaziridin-2-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-azidopiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone;N,N-diethyl-3-phenyloxaziridine-2-carboxamide;(3-phenyloxaziridin-2-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-azidopiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone;N,N-diethyl-3-phenyloxaziridine-2-carboxamide;(3-phenyloxaziridin-2-yl)-piperidin-1-ylmethanone is CCN(CC)C(=O)N1OC1c1ccccc1.O=C(N1CCCCC1)N1OC1c1ccccc1.[N-]=[N+]=NC1CCN(C(=O)N2OC2c2ccccc2)CC1.
What is the InChIKey of (4-azidopiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone;N,N-diethyl-3-phenyloxaziridine-2-carboxamide;(3-phenyloxaziridin-2-yl)-piperidin-1-ylmethanone?
The InChIKey is GWUDRTWIUDKEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2.C13H16N2O2.C12H16N2O2/c14-16-15-11-6-8-17(9-7-11)13(19)18-12(20-18)10-4-2-1-3-5-10;16-13(14-9-5-2-6-10-14)15-12(17-15)11-7-3-1-4-8-11;1-3-13(4-2)12(15)14-11(16-14)10-8-6-5-7-9-10/h1-5,11-12H,6-9H2;1,3-4,7-8,12H,2,5-6,9-10H2;5-9,11H,3-4H2,1-2H3.
What are the key properties of (4-azidopiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone;N,N-diethyl-3-phenyloxaziridine-2-carboxamide;(3-phenyloxaziridin-2-yl)-piperidin-1-ylmethanone?
(4-azidopiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone;N,N-diethyl-3-phenyloxaziridine-2-carboxamide;(3-phenyloxaziridin-2-yl)-piperidin-1-ylmethanone has a molecular weight of 725.85 g/mol, XLogP of 7.76, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-azidopiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone;N,N-diethyl-3-phenyloxaziridine-2-carboxamide;(3-phenyloxaziridin-2-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 163600008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).