tert-butyl 4-[naphthalene-2-carbonyl-[4-(naphthalene-2-carbonyloxy)butyl]amino]piperidine-1-carboxylate

C36H40N2O5 — CID 59983218

IUPACtert-butyl 4-[naphthalene-2-carbonyl-[4-(naphthalene-2-carbonyloxy)butyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N(CCCCOC(=O)c2ccc3ccccc3c2)C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C36H40N2O5/c1-36(2,3)43-35(41)37-21-18-32(19-22-37)38(33(39)30-16-14-26-10-4-6-12-28(26)24-30)20-8-9-23-42-34(40)31-17-15-27-11-5-7-13-29(27)25-31/h4-7,10-17,24-25,32H,8-9,18-23H2,1-3H3
InChIKeyRWPNJPAHRIXRSE-UHFFFAOYSA-N
MW580.73 g/mol
LogP7.47
Rot. Bonds8

About tert-butyl 4-[naphthalene-2-carbonyl-[4-(naphthalene-2-carbonyloxy)butyl]amino]piperidine-1-carboxylate

tert-butyl 4-[naphthalene-2-carbonyl-[4-(naphthalene-2-carbonyloxy)butyl]amino]piperidine-1-carboxylate (PubChem CID 59983218) has the molecular formula C36H40N2O5 and a molecular weight of 580.73 g/mol. Its IUPAC name is tert-butyl 4-[naphthalene-2-carbonyl-[4-(naphthalene-2-carbonyloxy)butyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[naphthalene-2-carbonyl-[4-(naphthalene-2-carbonyloxy)butyl]amino]piperidine-1-carboxylate
PubChem CID59983218
Molecular FormulaC36H40N2O5
Molecular Weight580.73 g/mol
Exact Mass580.29
IUPAC Nametert-butyl 4-[naphthalene-2-carbonyl-[4-(naphthalene-2-carbonyloxy)butyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N(CCCCOC(=O)c2ccc3ccccc3c2)C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C36H40N2O5/c1-36(2,3)43-35(41)37-21-18-32(19-22-37)38(33(39)30-16-14-26-10-4-6-12-28(26)24-30)20-8-9-23-42-34(40)31-17-15-27-11-5-7-13-29(27)25-31/h4-7,10-17,24-25,32H,8-9,18-23H2,1-3H3
InChIKeyRWPNJPAHRIXRSE-UHFFFAOYSA-N
XLogP7.47
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.73
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-(2-benzoyloxyethyl)piperidine-1-carboxylate
CID 129162455
tert-butyl 4-[3-hydroxypropyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate
CID 22894079
tert-butyl 4-[[[2-(methylamino)pyrimidin-4-yl]-(naphthalene-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 58702486
tert-butyl 3-(naphthalene-2-carbonyl)piperidine-1-carboxylate
CID 174881226
benzoyl chloride;tert-butyl 4-[4-(3-benzoyloxypropyl)phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 159062385
tert-butyl 4-(2-benzoyloxyethyl)piperidine-1-carboxylate;tert-butyl 4-(2-hydroxyethyl)piperidine-1-carboxylate;2-piperidin-4-ylethyl benzoate
CID 162054470
tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate
CID 58808100
tert-butyl 4-[4-[2-(4-methoxybenzoyl)oxyethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 86604407
tert-butyl 4-[[[2-(cyclohexylamino)pyrimidin-4-yl]-(naphthalene-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 58702239
tert-butyl 4-(2-naphthalen-2-ylacetyl)piperazine-1-carboxylate
CID 140993282
tert-butyl 4-(2-benzoyloxy-2,2-dideuterioethyl)piperidine-1-carboxylate
CID 155269118
tert-butyl 3-methyl-3-(naphthalene-2-carbonyl)azetidine-1-carboxylate
CID 168787887

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[naphthalene-2-carbonyl-[4-(naphthalene-2-carbonyloxy)butyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[naphthalene-2-carbonyl-[4-(naphthalene-2-carbonyloxy)butyl]amino]piperidine-1-carboxylate (CID 59983218) is tert-butyl 4-[naphthalene-2-carbonyl-[4-(naphthalene-2-carbonyloxy)butyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[naphthalene-2-carbonyl-[4-(naphthalene-2-carbonyloxy)butyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[naphthalene-2-carbonyl-[4-(naphthalene-2-carbonyloxy)butyl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N(CCCCOC(=O)c2ccc3ccccc3c2)C(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of tert-butyl 4-[naphthalene-2-carbonyl-[4-(naphthalene-2-carbonyloxy)butyl]amino]piperidine-1-carboxylate?
The InChIKey is RWPNJPAHRIXRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40N2O5/c1-36(2,3)43-35(41)37-21-18-32(19-22-37)38(33(39)30-16-14-26-10-4-6-12-28(26)24-30)20-8-9-23-42-34(40)31-17-15-27-11-5-7-13-29(27)25-31/h4-7,10-17,24-25,32H,8-9,18-23H2,1-3H3.
What are the key properties of tert-butyl 4-[naphthalene-2-carbonyl-[4-(naphthalene-2-carbonyloxy)butyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[naphthalene-2-carbonyl-[4-(naphthalene-2-carbonyloxy)butyl]amino]piperidine-1-carboxylate has a molecular weight of 580.73 g/mol, XLogP of 7.47, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[naphthalene-2-carbonyl-[4-(naphthalene-2-carbonyloxy)butyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 59983218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).