(3R)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]piperidine-3-carboxamide

C16H30N2O2 — CID 124595857

IUPAC(3R)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]piperidine-3-carboxamide
SMILESCC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@@H]1CCCNC1
InChIInChI=1S/C16H30N2O2/c1-16(2,3)14-12(7-5-9-20-14)11-18-15(19)13-6-4-8-17-10-13/h12-14,17H,4-11H2,1-3H3,(H,18,19)/t12-,13-,14-/m1/s1
InChIKeyPUWPONPSXPYXNB-MGPQQGTHSA-N
MW282.43 g/mol
LogP1.94
Rot. Bonds3

About (3R)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]piperidine-3-carboxamide

(3R)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]piperidine-3-carboxamide (PubChem CID 124595857) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (3R)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]piperidine-3-carboxamide
PubChem CID124595857
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name(3R)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]piperidine-3-carboxamide
SMILESCC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@@H]1CCCNC1
InChIInChI=1S/C16H30N2O2/c1-16(2,3)14-12(7-5-9-20-14)11-18-15(19)13-6-4-8-17-10-13/h12-14,17H,4-11H2,1-3H3,(H,18,19)/t12-,13-,14-/m1/s1
InChIKeyPUWPONPSXPYXNB-MGPQQGTHSA-N
XLogP1.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 81123197
N-[(2-methylcyclopropyl)methyl]piperidine-3-carboxamide
CID 115733792
(3S)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
CID 81141151
N-(oxan-4-ylmethyl)piperidine-3-carboxamide
CID 53410772
(3R)-N-(oxan-3-ylmethyl)piperidine-3-carboxamide
CID 81128117
N-(cyclopentylmethyl)piperidine-3-carboxamide
CID 43371173
(3S)-N-(cyclopentylmethyl)piperidine-3-carboxamide
CID 81123262
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrrolidine-3-carboxamide
CID 119794651
1-amino-N-[(2-tert-butyloxan-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119795864
methyl 2-(piperidine-3-carbonylamino)acetate
CID 60913799
(3R)-N-[(3-hydroxycyclopentyl)methyl]piperidine-3-carboxamide
CID 106134003

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]piperidine-3-carboxamide (CID 124595857) is (3R)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]piperidine-3-carboxamide is CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]piperidine-3-carboxamide?
The InChIKey is PUWPONPSXPYXNB-MGPQQGTHSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-16(2,3)14-12(7-5-9-20-14)11-18-15(19)13-6-4-8-17-10-13/h12-14,17H,4-11H2,1-3H3,(H,18,19)/t12-,13-,14-/m1/s1.
What are the key properties of (3R)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]piperidine-3-carboxamide?
(3R)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]piperidine-3-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 124595857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).