tert-butyl 2-[(1-acetylpiperidin-4-yl)amino]-6-(dimethylamino)pyridine-4-carboxylate

C19H30N4O3 — CID 157310024

IUPACtert-butyl 2-[(1-acetylpiperidin-4-yl)amino]-6-(dimethylamino)pyridine-4-carboxylate
SMILESCC(=O)N1CCC(Nc2cc(C(=O)OC(C)(C)C)cc(N(C)C)n2)CC1
InChIInChI=1S/C19H30N4O3/c1-13(24)23-9-7-15(8-10-23)20-16-11-14(12-17(21-16)22(5)6)18(25)26-19(2,3)4/h11-12,15H,7-10H2,1-6H3,(H,20,21)
InChIKeyFRCLGEIIYYLXRU-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.53
Rot. Bonds4

About tert-butyl 2-[(1-acetylpiperidin-4-yl)amino]-6-(dimethylamino)pyridine-4-carboxylate

tert-butyl 2-[(1-acetylpiperidin-4-yl)amino]-6-(dimethylamino)pyridine-4-carboxylate (PubChem CID 157310024) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is tert-butyl 2-[(1-acetylpiperidin-4-yl)amino]-6-(dimethylamino)pyridine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(1-acetylpiperidin-4-yl)amino]-6-(dimethylamino)pyridine-4-carboxylate
PubChem CID157310024
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Nametert-butyl 2-[(1-acetylpiperidin-4-yl)amino]-6-(dimethylamino)pyridine-4-carboxylate
SMILESCC(=O)N1CCC(Nc2cc(C(=O)OC(C)(C)C)cc(N(C)C)n2)CC1
InChIInChI=1S/C19H30N4O3/c1-13(24)23-9-7-15(8-10-23)20-16-11-14(12-17(21-16)22(5)6)18(25)26-19(2,3)4/h11-12,15H,7-10H2,1-6H3,(H,20,21)
InChIKeyFRCLGEIIYYLXRU-UHFFFAOYSA-N
XLogP2.53
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(1-acetylpiperidin-4-yl)amino]-6-(dimethylamino)pyridine-4-carboxylate?
The IUPAC name of tert-butyl 2-[(1-acetylpiperidin-4-yl)amino]-6-(dimethylamino)pyridine-4-carboxylate (CID 157310024) is tert-butyl 2-[(1-acetylpiperidin-4-yl)amino]-6-(dimethylamino)pyridine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-[(1-acetylpiperidin-4-yl)amino]-6-(dimethylamino)pyridine-4-carboxylate?
The canonical SMILES for tert-butyl 2-[(1-acetylpiperidin-4-yl)amino]-6-(dimethylamino)pyridine-4-carboxylate is CC(=O)N1CCC(Nc2cc(C(=O)OC(C)(C)C)cc(N(C)C)n2)CC1.
What is the InChIKey of tert-butyl 2-[(1-acetylpiperidin-4-yl)amino]-6-(dimethylamino)pyridine-4-carboxylate?
The InChIKey is FRCLGEIIYYLXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-13(24)23-9-7-15(8-10-23)20-16-11-14(12-17(21-16)22(5)6)18(25)26-19(2,3)4/h11-12,15H,7-10H2,1-6H3,(H,20,21).
What are the key properties of tert-butyl 2-[(1-acetylpiperidin-4-yl)amino]-6-(dimethylamino)pyridine-4-carboxylate?
tert-butyl 2-[(1-acetylpiperidin-4-yl)amino]-6-(dimethylamino)pyridine-4-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(1-acetylpiperidin-4-yl)amino]-6-(dimethylamino)pyridine-4-carboxylate is sourced from PubChem (CID 157310024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).