tert-butyl N-[4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]carbamate

C19H28N2O3 — CID 27554136

IUPACtert-butyl N-[4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]carbamate
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C1
InChIInChI=1S/C19H28N2O3/c1-13-10-14(2)12-21(11-13)17(22)15-6-8-16(9-7-15)20-18(23)24-19(3,4)5/h6-9,13-14H,10-12H2,1-5H3,(H,20,23)/t13-,14-/m1/s1
InChIKeyQPPYTYFZOIVCLI-ZIAGYGMSSA-N
MW332.44 g/mol
LogP4.15
Rot. Bonds2

About tert-butyl N-[4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]carbamate

tert-butyl N-[4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]carbamate (PubChem CID 27554136) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is tert-butyl N-[4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]carbamate
PubChem CID27554136
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Nametert-butyl N-[4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]carbamate
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C1
InChIInChI=1S/C19H28N2O3/c1-13-10-14(2)12-21(11-13)17(22)15-6-8-16(9-7-15)20-18(23)24-19(3,4)5/h6-9,13-14H,10-12H2,1-5H3,(H,20,23)/t13-,14-/m1/s1
InChIKeyQPPYTYFZOIVCLI-ZIAGYGMSSA-N
XLogP4.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8646557
tert-butyl N-[4-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]phenyl]carbamate
CID 46443258
tert-butyl N-[4-(4-formyl-1,4-diazepane-1-carbonyl)phenyl]carbamate
CID 122133359
tert-butyl N-[4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phenyl]carbamate
CID 9255673
ethyl 1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]piperidine-3-carboxylate
CID 46612194
tert-butyl N-[3-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]carbamate
CID 55532756
(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 3113347
tert-butyl N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]carbamate
CID 45352504
tert-butyl N-[4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenyl]carbamate
CID 9472319
1-[4-(carbamoylamino)benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122119371
benzyl N-[1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]piperidin-3-yl]carbamate
CID 118033815
[4-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl] acetate
CID 690413

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]carbamate (CID 27554136) is tert-butyl N-[4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]carbamate is C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C1.
What is the InChIKey of tert-butyl N-[4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]carbamate?
The InChIKey is QPPYTYFZOIVCLI-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-13-10-14(2)12-21(11-13)17(22)15-6-8-16(9-7-15)20-18(23)24-19(3,4)5/h6-9,13-14H,10-12H2,1-5H3,(H,20,23)/t13-,14-/m1/s1.
What are the key properties of tert-butyl N-[4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]carbamate?
tert-butyl N-[4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]carbamate has a molecular weight of 332.44 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]carbamate is sourced from PubChem (CID 27554136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).