tert-butyl N-[(2R,3R)-6-oxo-2-[(3S)-piperidin-3-yl]piperidin-3-yl]carbamate

C15H27N3O3 — CID 124709909

IUPACtert-butyl N-[(2R,3R)-6-oxo-2-[(3S)-piperidin-3-yl]piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@H]1CCCNC1
InChIInChI=1S/C15H27N3O3/c1-15(2,3)21-14(20)17-11-6-7-12(19)18-13(11)10-5-4-8-16-9-10/h10-11,13,16H,4-9H2,1-3H3,(H,17,20)(H,18,19)/t10-,11+,13+/m0/s1
InChIKeyQBCNOVMXZALIMR-DMDPSCGWSA-N
MW297.40 g/mol
LogP1.16
Rot. Bonds2

About tert-butyl N-[(2R,3R)-6-oxo-2-[(3S)-piperidin-3-yl]piperidin-3-yl]carbamate

tert-butyl N-[(2R,3R)-6-oxo-2-[(3S)-piperidin-3-yl]piperidin-3-yl]carbamate (PubChem CID 124709909) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is tert-butyl N-[(2R,3R)-6-oxo-2-[(3S)-piperidin-3-yl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3R)-6-oxo-2-[(3S)-piperidin-3-yl]piperidin-3-yl]carbamate
PubChem CID124709909
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Nametert-butyl N-[(2R,3R)-6-oxo-2-[(3S)-piperidin-3-yl]piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@H]1CCCNC1
InChIInChI=1S/C15H27N3O3/c1-15(2,3)21-14(20)17-11-6-7-12(19)18-13(11)10-5-4-8-16-9-10/h10-11,13,16H,4-9H2,1-3H3,(H,17,20)(H,18,19)/t10-,11+,13+/m0/s1
InChIKeyQBCNOVMXZALIMR-DMDPSCGWSA-N
XLogP1.16
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2S,3R)-2-piperidin-3-ylpyrrolidin-3-yl]carbamate
CID 82379344
tert-butyl N-[(7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-yl]carbamate
CID 22871748
tert-butyl N-(4-cyclopentylpyrrolidin-3-yl)carbamate
CID 18939323
tert-butyl N-(3-methoxypiperidin-4-yl)carbamate
CID 76599311
tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118178604
tert-butyl N-[(4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118297090
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
tert-butyl N-(4-cyclohexylpyrrolidin-3-yl)carbamate
CID 18939351
methyl (3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate
CID 96884692
tert-butyl N-[(3S,4R)-4-cyclohexylpyrrolidin-3-yl]carbamate
CID 129387241
tert-butyl N-[2-(piperidin-3-ylmethylamino)cyclopropyl]carbamate
CID 107237689
tert-butyl N-[4-methoxyimino-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 76703073

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3R)-6-oxo-2-[(3S)-piperidin-3-yl]piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3R)-6-oxo-2-[(3S)-piperidin-3-yl]piperidin-3-yl]carbamate (CID 124709909) is tert-butyl N-[(2R,3R)-6-oxo-2-[(3S)-piperidin-3-yl]piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3R)-6-oxo-2-[(3S)-piperidin-3-yl]piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3R)-6-oxo-2-[(3S)-piperidin-3-yl]piperidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@H]1CCCNC1.
What is the InChIKey of tert-butyl N-[(2R,3R)-6-oxo-2-[(3S)-piperidin-3-yl]piperidin-3-yl]carbamate?
The InChIKey is QBCNOVMXZALIMR-DMDPSCGWSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-15(2,3)21-14(20)17-11-6-7-12(19)18-13(11)10-5-4-8-16-9-10/h10-11,13,16H,4-9H2,1-3H3,(H,17,20)(H,18,19)/t10-,11+,13+/m0/s1.
What are the key properties of tert-butyl N-[(2R,3R)-6-oxo-2-[(3S)-piperidin-3-yl]piperidin-3-yl]carbamate?
tert-butyl N-[(2R,3R)-6-oxo-2-[(3S)-piperidin-3-yl]piperidin-3-yl]carbamate has a molecular weight of 297.40 g/mol, XLogP of 1.16, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3R)-6-oxo-2-[(3S)-piperidin-3-yl]piperidin-3-yl]carbamate is sourced from PubChem (CID 124709909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).