2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]piperidine-1-carboxylic acid

C18H25NO4 — CID 69194715

IUPAC2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]piperidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)c1ccccc1CC1CCCCN1C(=O)O
InChIInChI=1S/C18H25NO4/c1-18(2,3)23-16(20)15-10-5-4-8-13(15)12-14-9-6-7-11-19(14)17(21)22/h4-5,8,10,14H,6-7,9,11-12H2,1-3H3,(H,21,22)
InChIKeyCEFCOCKOGZRIIG-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.72
Rot. Bonds3

About 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]piperidine-1-carboxylic acid

2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]piperidine-1-carboxylic acid (PubChem CID 69194715) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]piperidine-1-carboxylic acid
PubChem CID69194715
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]piperidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)c1ccccc1CC1CCCCN1C(=O)O
InChIInChI=1S/C18H25NO4/c1-18(2,3)23-16(20)15-10-5-4-8-13(15)12-14-9-6-7-11-19(14)17(21)22/h4-5,8,10,14H,6-7,9,11-12H2,1-3H3,(H,21,22)
InChIKeyCEFCOCKOGZRIIG-UHFFFAOYSA-N
XLogP3.72
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]piperidine-1-carboxylic acid 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

tert-butyl (2S)-2-benzylpiperidine-1-carboxylate
CID 94006022
tert-butyl (2R)-2-benzylpiperidine-1-carboxylate
CID 67726841
tert-butyl (2S)-2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxylate
CID 50905252
tert-butyl 2-(phenylsulfanylmethyl)piperidine-1-carboxylate
CID 69343898
tert-butyl 2-[[(2-fluorophenyl)methylsulfonylamino]methyl]piperidine-1-carboxylate
CID 71631754
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]-2-oxo-1H-quinoline-4-carboxylic acid
CID 46223407
tert-butyl (2R)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate
CID 11197513
(2S)-2-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-1-carboxylic acid
CID 68938043
tert-butyl 2-[(3-phenylmethoxyphenyl)methyl]piperidine-1-carboxylate
CID 138481057
tert-butyl 2-(2-hydroxyethyl)benzoate
CID 139709867
tert-butyl 2-[(benzylideneamino)methyl]piperidine-1-carboxylate
CID 146680133
tert-butyl (2R)-2-[[(2-bromophenyl)methylamino]methyl]piperidine-1-carboxylate
CID 97056784

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]piperidine-1-carboxylic acid (CID 69194715) is 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]piperidine-1-carboxylic acid is CC(C)(C)OC(=O)c1ccccc1CC1CCCCN1C(=O)O.
What is the InChIKey of 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]piperidine-1-carboxylic acid?
The InChIKey is CEFCOCKOGZRIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-18(2,3)23-16(20)15-10-5-4-8-13(15)12-14-9-6-7-11-19(14)17(21)22/h4-5,8,10,14H,6-7,9,11-12H2,1-3H3,(H,21,22).
What are the key properties of 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]piperidine-1-carboxylic acid?
2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]piperidine-1-carboxylic acid has a molecular weight of 319.40 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 69194715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).