tert-butyl formate;methyl 2-[4-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]piperidin-4-yl]acetate

C26H39N3O6 — CID 174749992

IUPACtert-butyl formate;methyl 2-[4-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]piperidin-4-yl]acetate
SMILESCC(C)(C)OC=O.COC(=O)CC1(NC(=O)c2ccc(C3CC3)c(OCC3CC3)n2)CCNCC1
InChIInChI=1S/C21H29N3O4.C5H10O2/c1-27-18(25)12-21(8-10-22-11-9-21)24-19(26)17-7-6-16(15-4-5-15)20(23-17)28-13-14-2-3-14;1-5(2,3)7-4-6/h6-7,14-15,22H,2-5,8-13H2,1H3,(H,24,26);4H,1-3H3
InChIKeyVJIPMVBVUVTNCI-UHFFFAOYSA-N
MW489.61 g/mol
LogP3.12
Rot. Bonds9

About tert-butyl formate;methyl 2-[4-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]piperidin-4-yl]acetate

tert-butyl formate;methyl 2-[4-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]piperidin-4-yl]acetate (PubChem CID 174749992) has the molecular formula C26H39N3O6 and a molecular weight of 489.61 g/mol. Its IUPAC name is tert-butyl formate;methyl 2-[4-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]piperidin-4-yl]acetate.

Molecular Properties

Compound Nametert-butyl formate;methyl 2-[4-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]piperidin-4-yl]acetate
PubChem CID174749992
Molecular FormulaC26H39N3O6
Molecular Weight489.61 g/mol
Exact Mass489.28
IUPAC Nametert-butyl formate;methyl 2-[4-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]piperidin-4-yl]acetate
SMILESCC(C)(C)OC=O.COC(=O)CC1(NC(=O)c2ccc(C3CC3)c(OCC3CC3)n2)CCNCC1
InChIInChI=1S/C21H29N3O4.C5H10O2/c1-27-18(25)12-21(8-10-22-11-9-21)24-19(26)17-7-6-16(15-4-5-15)20(23-17)28-13-14-2-3-14;1-5(2,3)7-4-6/h6-7,14-15,22H,2-5,8-13H2,1H3,(H,24,26);4H,1-3H3
InChIKeyVJIPMVBVUVTNCI-UHFFFAOYSA-N
XLogP3.12
TPSA115.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.61
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;methyl 2-[4-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]piperidin-4-yl]acetate?
The IUPAC name of tert-butyl formate;methyl 2-[4-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]piperidin-4-yl]acetate (CID 174749992) is tert-butyl formate;methyl 2-[4-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]piperidin-4-yl]acetate.
What is the SMILES notation for tert-butyl formate;methyl 2-[4-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]piperidin-4-yl]acetate?
The canonical SMILES for tert-butyl formate;methyl 2-[4-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]piperidin-4-yl]acetate is CC(C)(C)OC=O.COC(=O)CC1(NC(=O)c2ccc(C3CC3)c(OCC3CC3)n2)CCNCC1.
What is the InChIKey of tert-butyl formate;methyl 2-[4-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]piperidin-4-yl]acetate?
The InChIKey is VJIPMVBVUVTNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4.C5H10O2/c1-27-18(25)12-21(8-10-22-11-9-21)24-19(26)17-7-6-16(15-4-5-15)20(23-17)28-13-14-2-3-14;1-5(2,3)7-4-6/h6-7,14-15,22H,2-5,8-13H2,1H3,(H,24,26);4H,1-3H3.
What are the key properties of tert-butyl formate;methyl 2-[4-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]piperidin-4-yl]acetate?
tert-butyl formate;methyl 2-[4-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]piperidin-4-yl]acetate has a molecular weight of 489.61 g/mol, XLogP of 3.12, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;methyl 2-[4-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]piperidin-4-yl]acetate is sourced from PubChem (CID 174749992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).