tert-butyl 4-(4-piperazin-1-ylnaphthalen-1-yl)oxypiperidine-1-carboxylate

C24H33N3O3 — CID 130377878

IUPACtert-butyl 4-(4-piperazin-1-ylnaphthalen-1-yl)oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ccc(N3CCNCC3)c3ccccc23)CC1
InChIInChI=1S/C24H33N3O3/c1-24(2,3)30-23(28)27-14-10-18(11-15-27)29-22-9-8-21(26-16-12-25-13-17-26)19-6-4-5-7-20(19)22/h4-9,18,25H,10-17H2,1-3H3
InChIKeyJZPPPPNQGWIARE-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.03
Rot. Bonds3

About tert-butyl 4-(4-piperazin-1-ylnaphthalen-1-yl)oxypiperidine-1-carboxylate

tert-butyl 4-(4-piperazin-1-ylnaphthalen-1-yl)oxypiperidine-1-carboxylate (PubChem CID 130377878) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is tert-butyl 4-(4-piperazin-1-ylnaphthalen-1-yl)oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-piperazin-1-ylnaphthalen-1-yl)oxypiperidine-1-carboxylate
PubChem CID130377878
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Nametert-butyl 4-(4-piperazin-1-ylnaphthalen-1-yl)oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ccc(N3CCNCC3)c3ccccc23)CC1
InChIInChI=1S/C24H33N3O3/c1-24(2,3)30-23(28)27-14-10-18(11-15-27)29-22-9-8-21(26-16-12-25-13-17-26)19-6-4-5-7-20(19)22/h4-9,18,25H,10-17H2,1-3H3
InChIKeyJZPPPPNQGWIARE-UHFFFAOYSA-N
XLogP4.03
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxynaphthalen-1-yl]piperazine-1-carboxylate
CID 130367060
tert-butyl (3S)-3-(2-piperazin-1-ylphenoxy)pyrrolidine-1-carboxylate
CID 69417508
tert-butyl (3R)-3-(2-piperazin-1-ylphenoxy)pyrrolidine-1-carboxylate
CID 69417826
tert-butyl 3-(2-piperazin-1-yl-4-propan-2-ylphenoxy)pyrrolidine-1-carboxylate
CID 58817363
tert-butyl 4-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfanylnaphthalen-1-yl]piperazine-1-carboxylate
CID 130367120
tert-butyl 4-quinolin-5-yloxypiperidine-1-carboxylate
CID 170614892
tert-butyl 4-[4-[(4-chlorophenyl)sulfonylamino]naphthalen-1-yl]oxypiperidine-1-carboxylate
CID 91227843
tert-butyl 4-(2-amino-6-fluorophenoxy)piperidine-1-carboxylate
CID 53255951
tert-butyl 4-[(4-oxo-3H-phthalazin-1-yl)oxy]piperidine-1-carboxylate
CID 142713810
tert-butyl 4-[4-[hydroxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]naphthalen-1-yl]piperazine-1-carboxylate
CID 130377936
tert-butyl 4-(5-methyl-6-piperazin-1-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 135219469
tert-butyl 3-(5-fluoro-2-piperazin-1-ylphenoxy)piperidine-1-carboxylate
CID 58817428

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-piperazin-1-ylnaphthalen-1-yl)oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-piperazin-1-ylnaphthalen-1-yl)oxypiperidine-1-carboxylate (CID 130377878) is tert-butyl 4-(4-piperazin-1-ylnaphthalen-1-yl)oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-piperazin-1-ylnaphthalen-1-yl)oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-piperazin-1-ylnaphthalen-1-yl)oxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Oc2ccc(N3CCNCC3)c3ccccc23)CC1.
What is the InChIKey of tert-butyl 4-(4-piperazin-1-ylnaphthalen-1-yl)oxypiperidine-1-carboxylate?
The InChIKey is JZPPPPNQGWIARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-24(2,3)30-23(28)27-14-10-18(11-15-27)29-22-9-8-21(26-16-12-25-13-17-26)19-6-4-5-7-20(19)22/h4-9,18,25H,10-17H2,1-3H3.
What are the key properties of tert-butyl 4-(4-piperazin-1-ylnaphthalen-1-yl)oxypiperidine-1-carboxylate?
tert-butyl 4-(4-piperazin-1-ylnaphthalen-1-yl)oxypiperidine-1-carboxylate has a molecular weight of 411.55 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-piperazin-1-ylnaphthalen-1-yl)oxypiperidine-1-carboxylate is sourced from PubChem (CID 130377878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).