1-O-tert-butyl 4-O-methyl 4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidine-1,4-dicarboxylate

C23H33NO4 — CID 158999954

IUPAC1-O-tert-butyl 4-O-methyl 4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidine-1,4-dicarboxylate
SMILESCOC(=O)C1(CC[C@@H]2CC2c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C23H33NO4/c1-22(2,3)28-21(26)24-14-12-23(13-15-24,20(25)27-4)11-10-18-16-19(18)17-8-6-5-7-9-17/h5-9,18-19H,10-16H2,1-4H3/t18-,19?/m1/s1
InChIKeyJRFIUVZBLYSGTN-MRTLOADZSA-N
MW387.52 g/mol
LogP4.76
Rot. Bonds5

About 1-O-tert-butyl 4-O-methyl 4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidine-1,4-dicarboxylate

1-O-tert-butyl 4-O-methyl 4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidine-1,4-dicarboxylate (PubChem CID 158999954) has the molecular formula C23H33NO4 and a molecular weight of 387.52 g/mol. Its IUPAC name is 1-O-tert-butyl 4-O-methyl 4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 4-O-methyl 4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidine-1,4-dicarboxylate
PubChem CID158999954
Molecular FormulaC23H33NO4
Molecular Weight387.52 g/mol
Exact Mass387.24
IUPAC Name1-O-tert-butyl 4-O-methyl 4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidine-1,4-dicarboxylate
SMILESCOC(=O)C1(CC[C@@H]2CC2c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C23H33NO4/c1-22(2,3)28-21(26)24-14-12-23(13-15-24,20(25)27-4)11-10-18-16-19(18)17-8-6-5-7-9-17/h5-9,18-19H,10-16H2,1-4H3/t18-,19?/m1/s1
InChIKeyJRFIUVZBLYSGTN-MRTLOADZSA-N
XLogP4.76
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-O-tert-butyl 4-O-methyl 4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidine-1,4-dicarboxylate 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

1-O-tert-butyl 4-O-methyl 4-benzylpiperidine-1,4-dicarboxylate
CID 20664732
1-O-tert-butyl 3-O-methyl 3-(phenylmethoxymethyl)pyrrolidine-1,3-dicarboxylate
CID 135322814
tert-butyl 4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 118319880
1-O-tert-butyl 4-O-methyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-1,4-dicarboxylate
CID 68992342
1-O-tert-butyl 4-O-methyl 4-(methoxymethyl)piperidine-1,4-dicarboxylate
CID 118290173
1-O-tert-butyl 4-O-methyl 4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-1,4-dicarboxylate
CID 23641173
tert-butyl 4-[[[(2R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 138722566
tert-butyl 4-[[[(1S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 70810888
tert-butyl 4-(cyanomethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate
CID 118290169
tert-butyl 2-(2-phenylcyclohexyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 167141572
tert-butyl 4-[(4-fluorophenyl)methyl]-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 118290135
tert-butyl (3R,4S)-3-(aminomethyl)-4-phenylpyrrolidine-1-carboxylate
CID 98008226

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 4-O-methyl 4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidine-1,4-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 4-O-methyl 4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidine-1,4-dicarboxylate (CID 158999954) is 1-O-tert-butyl 4-O-methyl 4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidine-1,4-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 4-O-methyl 4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidine-1,4-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 4-O-methyl 4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidine-1,4-dicarboxylate is COC(=O)C1(CC[C@@H]2CC2c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of 1-O-tert-butyl 4-O-methyl 4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidine-1,4-dicarboxylate?
The InChIKey is JRFIUVZBLYSGTN-MRTLOADZSA-N. The full InChI is InChI=1S/C23H33NO4/c1-22(2,3)28-21(26)24-14-12-23(13-15-24,20(25)27-4)11-10-18-16-19(18)17-8-6-5-7-9-17/h5-9,18-19H,10-16H2,1-4H3/t18-,19?/m1/s1.
What are the key properties of 1-O-tert-butyl 4-O-methyl 4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidine-1,4-dicarboxylate?
1-O-tert-butyl 4-O-methyl 4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidine-1,4-dicarboxylate has a molecular weight of 387.52 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 4-O-methyl 4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidine-1,4-dicarboxylate is sourced from PubChem (CID 158999954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).