tert-butyl (3R)-3-[methyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]piperidine-1-carboxylate

C22H34N2O3 — CID 156710383

IUPACtert-butyl (3R)-3-[methyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]piperidine-1-carboxylate
SMILESCC(C)c1ccc(CN(C)C(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1
InChIInChI=1S/C22H34N2O3/c1-16(2)18-11-9-17(10-12-18)14-23(6)20(25)19-8-7-13-24(15-19)21(26)27-22(3,4)5/h9-12,16,19H,7-8,13-15H2,1-6H3/t19-/m1/s1
InChIKeyLKRRKFABBBULRD-LJQANCHMSA-N
MW374.53 g/mol
LogP4.42
Rot. Bonds4

About tert-butyl (3R)-3-[methyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]piperidine-1-carboxylate

tert-butyl (3R)-3-[methyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 156710383) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is tert-butyl (3R)-3-[methyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[methyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]piperidine-1-carboxylate
PubChem CID156710383
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Nametert-butyl (3R)-3-[methyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]piperidine-1-carboxylate
SMILESCC(C)c1ccc(CN(C)C(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1
InChIInChI=1S/C22H34N2O3/c1-16(2)18-11-9-17(10-12-18)14-23(6)20(25)19-8-7-13-24(15-19)21(26)27-22(3,4)5/h9-12,16,19H,7-8,13-15H2,1-6H3/t19-/m1/s1
InChIKeyLKRRKFABBBULRD-LJQANCHMSA-N
XLogP4.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3R)-3-[(2,4-dichlorophenyl)methyl-methylcarbamoyl]piperidine-1-carboxylate
CID 97167074
tert-butyl (3S)-3-[(4-bromophenyl)methyl-cyclopropylcarbamoyl]piperidine-1-carboxylate
CID 97171675
tert-butyl 3-[ethyl-[(4-fluorophenyl)methyl]carbamoyl]piperidine-1-carboxylate
CID 71635208
tert-butyl 3-[benzyl(propyl)carbamoyl]piperidine-1-carboxylate
CID 55462555
tert-butyl (3S)-3-[(4-cyanophenyl)methyl-ethylcarbamoyl]piperidine-1-carboxylate
CID 97177316
tert-butyl 3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;ethane
CID 142129006
tert-butyl 4-[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]piperidine-1-carboxylate
CID 134059870
tert-butyl 4-[(3,4-dichlorophenyl)methyl-methylcarbamoyl]piperidine-1-carboxylate
CID 31189919
tert-butyl 4-[(4-cyanophenyl)methyl-methylcarbamoyl]piperidine-1-carboxylate
CID 39860083
tert-butyl (3S)-3-[(2-chloro-6-fluorophenyl)methyl-propan-2-ylcarbamoyl]piperidine-1-carboxylate
CID 97174804
(3S)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 81129751
tert-butyl 3-[(2-cyanophenyl)methyl-propan-2-ylcarbamoyl]piperidine-1-carboxylate
CID 71632873

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[methyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[methyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]piperidine-1-carboxylate (CID 156710383) is tert-butyl (3R)-3-[methyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[methyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[methyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]piperidine-1-carboxylate is CC(C)c1ccc(CN(C)C(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1.
What is the InChIKey of tert-butyl (3R)-3-[methyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is LKRRKFABBBULRD-LJQANCHMSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-16(2)18-11-9-17(10-12-18)14-23(6)20(25)19-8-7-13-24(15-19)21(26)27-22(3,4)5/h9-12,16,19H,7-8,13-15H2,1-6H3/t19-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[methyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]piperidine-1-carboxylate?
tert-butyl (3R)-3-[methyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 374.53 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[methyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 156710383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).