tert-butyl (3R)-3-[(2-cyclopentyloxy-3-pyridinyl)methylcarbamoyl]piperidine-1-carboxylate

C22H33N3O4 — CID 51941848

IUPACtert-butyl (3R)-3-[(2-cyclopentyloxy-3-pyridinyl)methylcarbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCc2cccnc2OC2CCCC2)C1
InChIInChI=1S/C22H33N3O4/c1-22(2,3)29-21(27)25-13-7-9-17(15-25)19(26)24-14-16-8-6-12-23-20(16)28-18-10-4-5-11-18/h6,8,12,17-18H,4-5,7,9-11,13-15H2,1-3H3,(H,24,26)/t17-/m1/s1
InChIKeyGIKKOYFNVMWGCC-QGZVFWFLSA-N
MW403.52 g/mol
LogP3.67
Rot. Bonds5

About tert-butyl (3R)-3-[(2-cyclopentyloxy-3-pyridinyl)methylcarbamoyl]piperidine-1-carboxylate

tert-butyl (3R)-3-[(2-cyclopentyloxy-3-pyridinyl)methylcarbamoyl]piperidine-1-carboxylate (PubChem CID 51941848) has the molecular formula C22H33N3O4 and a molecular weight of 403.52 g/mol. Its IUPAC name is tert-butyl (3R)-3-[(2-cyclopentyloxy-3-pyridinyl)methylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[(2-cyclopentyloxy-3-pyridinyl)methylcarbamoyl]piperidine-1-carboxylate
PubChem CID51941848
Molecular FormulaC22H33N3O4
Molecular Weight403.52 g/mol
Exact Mass403.25
IUPAC Nametert-butyl (3R)-3-[(2-cyclopentyloxy-3-pyridinyl)methylcarbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCc2cccnc2OC2CCCC2)C1
InChIInChI=1S/C22H33N3O4/c1-22(2,3)29-21(27)25-13-7-9-17(15-25)19(26)24-14-16-8-6-12-23-20(16)28-18-10-4-5-11-18/h6,8,12,17-18H,4-5,7,9-11,13-15H2,1-3H3,(H,24,26)/t17-/m1/s1
InChIKeyGIKKOYFNVMWGCC-QGZVFWFLSA-N
XLogP3.67
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 55790751
tert-butyl 3-(pyridin-4-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 51253317
(3R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 51956462
tert-butyl (3R)-3-[(3-hydroxy-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71630690
tert-butyl (3S)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-1-carboxylate;sulfane
CID 161175121
(3R)-3-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]piperidine-1,3-dicarboxamide
CID 94028864
tert-butyl 3-[(3-fluoro-2-pyridinyl)methylcarbamoyl]pyrrolidine-1-carboxylate
CID 129067461
tert-butyl 3-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 18116301
tert-butyl (3S)-3-[(3-cyano-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71630577
tert-butyl 3-isoquinolin-1-yloxypiperidine-1-carboxylate
CID 118114502
N-[(2-cycloheptyloxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62297718
tert-butyl 3-[(2-chloro-6-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 71630780

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[(2-cyclopentyloxy-3-pyridinyl)methylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[(2-cyclopentyloxy-3-pyridinyl)methylcarbamoyl]piperidine-1-carboxylate (CID 51941848) is tert-butyl (3R)-3-[(2-cyclopentyloxy-3-pyridinyl)methylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[(2-cyclopentyloxy-3-pyridinyl)methylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[(2-cyclopentyloxy-3-pyridinyl)methylcarbamoyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCc2cccnc2OC2CCCC2)C1.
What is the InChIKey of tert-butyl (3R)-3-[(2-cyclopentyloxy-3-pyridinyl)methylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is GIKKOYFNVMWGCC-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H33N3O4/c1-22(2,3)29-21(27)25-13-7-9-17(15-25)19(26)24-14-16-8-6-12-23-20(16)28-18-10-4-5-11-18/h6,8,12,17-18H,4-5,7,9-11,13-15H2,1-3H3,(H,24,26)/t17-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[(2-cyclopentyloxy-3-pyridinyl)methylcarbamoyl]piperidine-1-carboxylate?
tert-butyl (3R)-3-[(2-cyclopentyloxy-3-pyridinyl)methylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 403.52 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[(2-cyclopentyloxy-3-pyridinyl)methylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 51941848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).