3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)pentan-3-yl piperidine-1-carboxylate

C23H37NO2 — CID 170530096

IUPAC3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)pentan-3-yl piperidine-1-carboxylate
SMILESCCC(CC)(OC(=O)N1CCCCC1)C1CC2CC1C1C3CCC(C3)C21
InChIInChI=1S/C23H37NO2/c1-3-23(4-2,26-22(25)24-10-6-5-7-11-24)19-14-17-13-18(19)21-16-9-8-15(12-16)20(17)21/h15-21H,3-14H2,1-2H3
InChIKeySAWWJJBPWLQCTE-UHFFFAOYSA-N
MW359.55 g/mol
LogP5.49
Rot. Bonds4

About 3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)pentan-3-yl piperidine-1-carboxylate

3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)pentan-3-yl piperidine-1-carboxylate (PubChem CID 170530096) has the molecular formula C23H37NO2 and a molecular weight of 359.55 g/mol. Its IUPAC name is 3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)pentan-3-yl piperidine-1-carboxylate.

Molecular Properties

Compound Name3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)pentan-3-yl piperidine-1-carboxylate
PubChem CID170530096
Molecular FormulaC23H37NO2
Molecular Weight359.55 g/mol
Exact Mass359.28
IUPAC Name3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)pentan-3-yl piperidine-1-carboxylate
SMILESCCC(CC)(OC(=O)N1CCCCC1)C1CC2CC1C1C3CCC(C3)C21
InChIInChI=1S/C23H37NO2/c1-3-23(4-2,26-22(25)24-10-6-5-7-11-24)19-14-17-13-18(19)21-16-9-8-15(12-16)20(17)21/h15-21H,3-14H2,1-2H3
InChIKeySAWWJJBPWLQCTE-UHFFFAOYSA-N
XLogP5.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.55
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

Analyze 3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)pentan-3-yl piperidine-1-carboxylate 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

2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yl piperidine-1-carboxylate
CID 170530183
2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl piperidine-1-carboxylate
CID 170530088
2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl piperidine-1-carboxylate
CID 170530193
1,1-bis(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethyl prop-2-enoate
CID 91159013
2-cyclohexylpropan-2-yl piperidine-1-carboxylate
CID 59148790
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl 2,2-dimethylbutanoate
CID 118041802
(4-cyclohexyl-2-methylbutan-2-yl) pyrrolidine-1-carboxylate
CID 118031632
azane;tert-butyl piperidine-1-carboxylate
CID 134583959
2-methylbutan-2-yl 4-(cyclohexanecarbonyloxy)piperidine-1-carboxylate
CID 89451370
ethyl azacycloundecane-1-carboxylate
CID 67670496
(4-prop-1-en-2-yl-4-tricyclo[5.2.1.02,6]decanyl) piperidine-1-carboxylate
CID 170530264

Frequently Asked Questions

What is the IUPAC name of 3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)pentan-3-yl piperidine-1-carboxylate?
The IUPAC name of 3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)pentan-3-yl piperidine-1-carboxylate (CID 170530096) is 3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)pentan-3-yl piperidine-1-carboxylate.
What is the SMILES notation for 3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)pentan-3-yl piperidine-1-carboxylate?
The canonical SMILES for 3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)pentan-3-yl piperidine-1-carboxylate is CCC(CC)(OC(=O)N1CCCCC1)C1CC2CC1C1C3CCC(C3)C21.
What is the InChIKey of 3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)pentan-3-yl piperidine-1-carboxylate?
The InChIKey is SAWWJJBPWLQCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO2/c1-3-23(4-2,26-22(25)24-10-6-5-7-11-24)19-14-17-13-18(19)21-16-9-8-15(12-16)20(17)21/h15-21H,3-14H2,1-2H3.
What are the key properties of 3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)pentan-3-yl piperidine-1-carboxylate?
3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)pentan-3-yl piperidine-1-carboxylate has a molecular weight of 359.55 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)pentan-3-yl piperidine-1-carboxylate is sourced from PubChem (CID 170530096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).