N-[4-[4-(aminooxymethyl)piperidine-1-carboximidoyl]phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide

C25H25FN8O2 — CID 20595295

IUPACN-[4-[4-(aminooxymethyl)piperidine-1-carboximidoyl]phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide
SMILES[H]/N=C(/c1ccc(NC(=O)c2nnnn2-c2cc3ccccc3cc2F)cc1)N1CCC(CON)CC1
InChIInChI=1S/C25H25FN8O2/c26-21-13-18-3-1-2-4-19(18)14-22(21)34-24(30-31-32-34)25(35)29-20-7-5-17(6-8-20)23(27)33-11-9-16(10-12-33)15-36-28/h1-8,13-14,16,27H,9-12,15,28H2,(H,29,35)/b27-23-
InChIKeyRCSIYXUZEFQIPZ-VYIQYICTSA-N
MW488.53 g/mol
LogP3.13
Rot. Bonds6

About N-[4-[4-(aminooxymethyl)piperidine-1-carboximidoyl]phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide

N-[4-[4-(aminooxymethyl)piperidine-1-carboximidoyl]phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide (PubChem CID 20595295) has the molecular formula C25H25FN8O2 and a molecular weight of 488.53 g/mol. Its IUPAC name is N-[4-[4-(aminooxymethyl)piperidine-1-carboximidoyl]phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(aminooxymethyl)piperidine-1-carboximidoyl]phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide
PubChem CID20595295
Molecular FormulaC25H25FN8O2
Molecular Weight488.53 g/mol
Exact Mass488.21
IUPAC NameN-[4-[4-(aminooxymethyl)piperidine-1-carboximidoyl]phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide
SMILES[H]/N=C(/c1ccc(NC(=O)c2nnnn2-c2cc3ccccc3cc2F)cc1)N1CCC(CON)CC1
InChIInChI=1S/C25H25FN8O2/c26-21-13-18-3-1-2-4-19(18)14-22(21)34-24(30-31-32-34)25(35)29-20-7-5-17(6-8-20)23(27)33-11-9-16(10-12-33)15-36-28/h1-8,13-14,16,27H,9-12,15,28H2,(H,29,35)/b27-23-
InChIKeyRCSIYXUZEFQIPZ-VYIQYICTSA-N
XLogP3.13
TPSA135.04 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.53
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(aminooxymethyl)piperidine-1-carboximidoyl]phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide?
The IUPAC name of N-[4-[4-(aminooxymethyl)piperidine-1-carboximidoyl]phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide (CID 20595295) is N-[4-[4-(aminooxymethyl)piperidine-1-carboximidoyl]phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide.
What is the SMILES notation for N-[4-[4-(aminooxymethyl)piperidine-1-carboximidoyl]phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide?
The canonical SMILES for N-[4-[4-(aminooxymethyl)piperidine-1-carboximidoyl]phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide is [H]/N=C(/c1ccc(NC(=O)c2nnnn2-c2cc3ccccc3cc2F)cc1)N1CCC(CON)CC1.
What is the InChIKey of N-[4-[4-(aminooxymethyl)piperidine-1-carboximidoyl]phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide?
The InChIKey is RCSIYXUZEFQIPZ-VYIQYICTSA-N. The full InChI is InChI=1S/C25H25FN8O2/c26-21-13-18-3-1-2-4-19(18)14-22(21)34-24(30-31-32-34)25(35)29-20-7-5-17(6-8-20)23(27)33-11-9-16(10-12-33)15-36-28/h1-8,13-14,16,27H,9-12,15,28H2,(H,29,35)/b27-23-.
What are the key properties of N-[4-[4-(aminooxymethyl)piperidine-1-carboximidoyl]phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide?
N-[4-[4-(aminooxymethyl)piperidine-1-carboximidoyl]phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide has a molecular weight of 488.53 g/mol, XLogP of 3.13, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(aminooxymethyl)piperidine-1-carboximidoyl]phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide is sourced from PubChem (CID 20595295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).