2-methylpropyl 4-[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]piperidine-1-carboxylate

C17H31N3O3 — CID 126799155

IUPAC2-methylpropyl 4-[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(NC2CCC(=O)NC2(C)C)CC1
InChIInChI=1S/C17H31N3O3/c1-12(2)11-23-16(22)20-9-7-13(8-10-20)18-14-5-6-15(21)19-17(14,3)4/h12-14,18H,5-11H2,1-4H3,(H,19,21)
InChIKeyJWAVMGOUAVKTLO-UHFFFAOYSA-N
MW325.45 g/mol
LogP1.89
Rot. Bonds4

About 2-methylpropyl 4-[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]piperidine-1-carboxylate

2-methylpropyl 4-[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]piperidine-1-carboxylate (PubChem CID 126799155) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is 2-methylpropyl 4-[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]piperidine-1-carboxylate
PubChem CID126799155
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Name2-methylpropyl 4-[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(NC2CCC(=O)NC2(C)C)CC1
InChIInChI=1S/C17H31N3O3/c1-12(2)11-23-16(22)20-9-7-13(8-10-20)18-14-5-6-15(21)19-17(14,3)4/h12-14,18H,5-11H2,1-4H3,(H,19,21)
InChIKeyJWAVMGOUAVKTLO-UHFFFAOYSA-N
XLogP1.89
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 69398316
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CID 99851619
2-methylpropyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate
CID 108559419
2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate
CID 108562132
2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate
CID 21025591
2-methylpropyl 4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]piperidine-1-carboxylate
CID 97056288
2-methylpropyl 4-(2-amino-5-methylanilino)piperidine-1-carboxylate
CID 69132792
2-methylpropyl 4-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]piperidine-1-carboxylate
CID 99851637
2-methylpropyl 4-[[(1R,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]piperidine-1-carboxylate
CID 129446196
2-methylpropyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate
CID 108562438
2-methylpropyl 4-[[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]amino]piperidine-1-carboxylate
CID 86784110

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]piperidine-1-carboxylate (CID 126799155) is 2-methylpropyl 4-[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]piperidine-1-carboxylate is CC(C)COC(=O)N1CCC(NC2CCC(=O)NC2(C)C)CC1.
What is the InChIKey of 2-methylpropyl 4-[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]piperidine-1-carboxylate?
The InChIKey is JWAVMGOUAVKTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-12(2)11-23-16(22)20-9-7-13(8-10-20)18-14-5-6-15(21)19-17(14,3)4/h12-14,18H,5-11H2,1-4H3,(H,19,21).
What are the key properties of 2-methylpropyl 4-[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]piperidine-1-carboxylate?
2-methylpropyl 4-[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]piperidine-1-carboxylate has a molecular weight of 325.45 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 126799155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).