[2-[(6-amino-2-ethyl-3-pyridinyl)diazenyl]phenyl] 4-(1,4-oxazepan-4-yl)piperidine-1-carboxylate

C24H32N6O3 — CID 164908660

IUPAC[2-[(6-amino-2-ethyl-3-pyridinyl)diazenyl]phenyl] 4-(1,4-oxazepan-4-yl)piperidine-1-carboxylate
SMILESCCc1nc(N)ccc1/N=N/c1ccccc1OC(=O)N1CCC(N2CCCOCC2)CC1
InChIInChI=1S/C24H32N6O3/c1-2-19-20(8-9-23(25)26-19)27-28-21-6-3-4-7-22(21)33-24(31)30-13-10-18(11-14-30)29-12-5-16-32-17-15-29/h3-4,6-9,18H,2,5,10-17H2,1H3,(H2,25,26)/b28-27+
InChIKeyIETPBKSKXWRHRB-BYYHNAKLSA-N
MW452.56 g/mol
LogP4.33
Rot. Bonds5

About [2-[(6-amino-2-ethyl-3-pyridinyl)diazenyl]phenyl] 4-(1,4-oxazepan-4-yl)piperidine-1-carboxylate

[2-[(6-amino-2-ethyl-3-pyridinyl)diazenyl]phenyl] 4-(1,4-oxazepan-4-yl)piperidine-1-carboxylate (PubChem CID 164908660) has the molecular formula C24H32N6O3 and a molecular weight of 452.56 g/mol. Its IUPAC name is [2-[(6-amino-2-ethyl-3-pyridinyl)diazenyl]phenyl] 4-(1,4-oxazepan-4-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Name[2-[(6-amino-2-ethyl-3-pyridinyl)diazenyl]phenyl] 4-(1,4-oxazepan-4-yl)piperidine-1-carboxylate
PubChem CID164908660
Molecular FormulaC24H32N6O3
Molecular Weight452.56 g/mol
Exact Mass452.25
IUPAC Name[2-[(6-amino-2-ethyl-3-pyridinyl)diazenyl]phenyl] 4-(1,4-oxazepan-4-yl)piperidine-1-carboxylate
SMILESCCc1nc(N)ccc1/N=N/c1ccccc1OC(=O)N1CCC(N2CCCOCC2)CC1
InChIInChI=1S/C24H32N6O3/c1-2-19-20(8-9-23(25)26-19)27-28-21-6-3-4-7-22(21)33-24(31)30-13-10-18(11-14-30)29-12-5-16-32-17-15-29/h3-4,6-9,18H,2,5,10-17H2,1H3,(H2,25,26)/b28-27+
InChIKeyIETPBKSKXWRHRB-BYYHNAKLSA-N
XLogP4.33
TPSA105.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze [2-[(6-amino-2-ethyl-3-pyridinyl)diazenyl]phenyl] 4-(1,4-oxazepan-4-yl)piperidine-1-carboxylate with MolForge

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Related Compounds

(2-aminophenyl) 4-morpholin-4-ylpiperidine-1-carboxylate;pyridine-2,3,6-triamine
CID 164908920
(2-aminophenyl) 4-(azepan-1-yl)piperidine-1-carboxylate;ethane;pyridine-2,3,6-triamine
CID 164909291
[2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] morpholine-4-carboxylate
CID 164909336
(2-aminophenyl) 4-(azepan-1-yl)piperidine-1-carboxylate
CID 164909292
[2-[(2,4-diaminophenyl)diazenyl]phenyl] 4-(dimethylamino)piperidine-1-carboxylate
CID 174262403
(4-morpholin-4-ylpiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone
CID 126836712
[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 58072570
4-morpholin-4-yl-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide
CID 122560980
ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate
CID 3469280
2-(2-methoxyphenyl)ethyl 4-piperidin-1-ylpiperidine-1-carboxylate
CID 6733175
(2S)-2-[(S)-(2-methoxyphenyl)-naphthalen-1-ylmethyl]-2-methyl-3-(4-morpholin-4-ylpiperidin-1-yl)-3-oxopropanenitrile
CID 69133546
ethyl 4-(4-naphthalen-1-ylpiperidin-1-yl)piperidine-1-carboxylate
CID 24770902

Frequently Asked Questions

What is the IUPAC name of [2-[(6-amino-2-ethyl-3-pyridinyl)diazenyl]phenyl] 4-(1,4-oxazepan-4-yl)piperidine-1-carboxylate?
The IUPAC name of [2-[(6-amino-2-ethyl-3-pyridinyl)diazenyl]phenyl] 4-(1,4-oxazepan-4-yl)piperidine-1-carboxylate (CID 164908660) is [2-[(6-amino-2-ethyl-3-pyridinyl)diazenyl]phenyl] 4-(1,4-oxazepan-4-yl)piperidine-1-carboxylate.
What is the SMILES notation for [2-[(6-amino-2-ethyl-3-pyridinyl)diazenyl]phenyl] 4-(1,4-oxazepan-4-yl)piperidine-1-carboxylate?
The canonical SMILES for [2-[(6-amino-2-ethyl-3-pyridinyl)diazenyl]phenyl] 4-(1,4-oxazepan-4-yl)piperidine-1-carboxylate is CCc1nc(N)ccc1/N=N/c1ccccc1OC(=O)N1CCC(N2CCCOCC2)CC1.
What is the InChIKey of [2-[(6-amino-2-ethyl-3-pyridinyl)diazenyl]phenyl] 4-(1,4-oxazepan-4-yl)piperidine-1-carboxylate?
The InChIKey is IETPBKSKXWRHRB-BYYHNAKLSA-N. The full InChI is InChI=1S/C24H32N6O3/c1-2-19-20(8-9-23(25)26-19)27-28-21-6-3-4-7-22(21)33-24(31)30-13-10-18(11-14-30)29-12-5-16-32-17-15-29/h3-4,6-9,18H,2,5,10-17H2,1H3,(H2,25,26)/b28-27+.
What are the key properties of [2-[(6-amino-2-ethyl-3-pyridinyl)diazenyl]phenyl] 4-(1,4-oxazepan-4-yl)piperidine-1-carboxylate?
[2-[(6-amino-2-ethyl-3-pyridinyl)diazenyl]phenyl] 4-(1,4-oxazepan-4-yl)piperidine-1-carboxylate has a molecular weight of 452.56 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-amino-2-ethyl-3-pyridinyl)diazenyl]phenyl] 4-(1,4-oxazepan-4-yl)piperidine-1-carboxylate is sourced from PubChem (CID 164908660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).