tert-butyl 4-(4-methoxycarbonylcyclohexyl)oxypiperidine-1-carboxylate

C18H31NO5 — CID 146599400

IUPACtert-butyl 4-(4-methoxycarbonylcyclohexyl)oxypiperidine-1-carboxylate
SMILESCOC(=O)C1CCC(OC2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C18H31NO5/c1-18(2,3)24-17(21)19-11-9-15(10-12-19)23-14-7-5-13(6-8-14)16(20)22-4/h13-15H,5-12H2,1-4H3
InChIKeyKUHZXQFCPZKLQJ-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.13
Rot. Bonds3

About tert-butyl 4-(4-methoxycarbonylcyclohexyl)oxypiperidine-1-carboxylate

tert-butyl 4-(4-methoxycarbonylcyclohexyl)oxypiperidine-1-carboxylate (PubChem CID 146599400) has the molecular formula C18H31NO5 and a molecular weight of 341.45 g/mol. Its IUPAC name is tert-butyl 4-(4-methoxycarbonylcyclohexyl)oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-methoxycarbonylcyclohexyl)oxypiperidine-1-carboxylate
PubChem CID146599400
Molecular FormulaC18H31NO5
Molecular Weight341.45 g/mol
Exact Mass341.22
IUPAC Nametert-butyl 4-(4-methoxycarbonylcyclohexyl)oxypiperidine-1-carboxylate
SMILESCOC(=O)C1CCC(OC2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C18H31NO5/c1-18(2,3)24-17(21)19-11-9-15(10-12-19)23-14-7-5-13(6-8-14)16(20)22-4/h13-15H,5-12H2,1-4H3
InChIKeyKUHZXQFCPZKLQJ-UHFFFAOYSA-N
XLogP3.13
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-(4-methoxycarbonylcyclohexyl)oxypiperidine-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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-methoxycarbonylcyclohexyl)oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-methoxycarbonylcyclohexyl)oxypiperidine-1-carboxylate (CID 146599400) is tert-butyl 4-(4-methoxycarbonylcyclohexyl)oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-methoxycarbonylcyclohexyl)oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-methoxycarbonylcyclohexyl)oxypiperidine-1-carboxylate is COC(=O)C1CCC(OC2CCN(C(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl 4-(4-methoxycarbonylcyclohexyl)oxypiperidine-1-carboxylate?
The InChIKey is KUHZXQFCPZKLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO5/c1-18(2,3)24-17(21)19-11-9-15(10-12-19)23-14-7-5-13(6-8-14)16(20)22-4/h13-15H,5-12H2,1-4H3.
What are the key properties of tert-butyl 4-(4-methoxycarbonylcyclohexyl)oxypiperidine-1-carboxylate?
tert-butyl 4-(4-methoxycarbonylcyclohexyl)oxypiperidine-1-carboxylate has a molecular weight of 341.45 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-methoxycarbonylcyclohexyl)oxypiperidine-1-carboxylate is sourced from PubChem (CID 146599400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).