tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;oxalic acid

C17H25N3O6 — CID 74892502

IUPACtert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;oxalic acid
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc(N)cn2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C15H23N3O2.C2H2O4/c1-15(2,3)20-14(19)18-8-6-11(7-9-18)13-5-4-12(16)10-17-13;3-1(4)2(5)6/h4-5,10-11H,6-9,16H2,1-3H3;(H,3,4)(H,5,6)
InChIKeySZXVRBCRQYQBLK-UHFFFAOYSA-N
MW367.40 g/mol
LogP1.93
Rot. Bonds1

About tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;oxalic acid

tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;oxalic acid (PubChem CID 74892502) has the molecular formula C17H25N3O6 and a molecular weight of 367.40 g/mol. Its IUPAC name is tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;oxalic acid.

Molecular Properties

Compound Nametert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;oxalic acid
PubChem CID74892502
Molecular FormulaC17H25N3O6
Molecular Weight367.40 g/mol
Exact Mass367.17
IUPAC Nametert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;oxalic acid
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc(N)cn2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C15H23N3O2.C2H2O4/c1-15(2,3)20-14(19)18-8-6-11(7-9-18)13-5-4-12(16)10-17-13;3-1(4)2(5)6/h4-5,10-11H,6-9,16H2,1-3H3;(H,3,4)(H,5,6)
InChIKeySZXVRBCRQYQBLK-UHFFFAOYSA-N
XLogP1.93
TPSA143.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-[6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-pyridinyl]benzoic acid
CID 175660741
tert-butyl 4-[5-(methylamino)-2-pyridinyl]piperidine-1-carboxylate
CID 167190668
tert-butyl 4-(5-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate
CID 163230393
6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyridine-3-carboxylic acid
CID 115052964
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl (3S)-3-(5-bromo-2-pyridinyl)pyrrolidine-1-carboxylate
CID 124704146
tert-butyl 4-[[(5-amino-2-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 53255819
tert-butyl 4-(5,6-diamino-3-pyridinyl)piperidine-1-carboxylate;ethane
CID 144686665
tert-butyl (3R)-3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate
CID 163947882
tert-butyl 4-(5-amino-1-benzhydrylpyrazol-3-yl)piperidine-1-carboxylate
CID 118267766
tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 134611090
tert-butyl 4-(4-carbamoyl-2-pyridinyl)piperidine-1-carboxylate
CID 175285120

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;oxalic acid?
The IUPAC name of tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;oxalic acid (CID 74892502) is tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;oxalic acid.
What is the SMILES notation for tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;oxalic acid?
The canonical SMILES for tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;oxalic acid is CC(C)(C)OC(=O)N1CCC(c2ccc(N)cn2)CC1.O=C(O)C(=O)O.
What is the InChIKey of tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;oxalic acid?
The InChIKey is SZXVRBCRQYQBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.C2H2O4/c1-15(2,3)20-14(19)18-8-6-11(7-9-18)13-5-4-12(16)10-17-13;3-1(4)2(5)6/h4-5,10-11H,6-9,16H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;oxalic acid?
tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;oxalic acid has a molecular weight of 367.40 g/mol, XLogP of 1.93, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;oxalic acid is sourced from PubChem (CID 74892502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).