N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-methylpyrazole-3-carboxamide

C16H27N5O2 — CID 51083917

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(CC(N)=O)CC2)nn1C(C)(C)C
InChIInChI=1S/C16H27N5O2/c1-11-9-13(19-21(11)16(2,3)4)15(23)18-12-5-7-20(8-6-12)10-14(17)22/h9,12H,5-8,10H2,1-4H3,(H2,17,22)(H,18,23)
InChIKeyVBACBWFENMZILK-UHFFFAOYSA-N
MW321.43 g/mol
LogP0.63
Rot. Bonds4

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-methylpyrazole-3-carboxamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-methylpyrazole-3-carboxamide (PubChem CID 51083917) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-methylpyrazole-3-carboxamide
PubChem CID51083917
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(CC(N)=O)CC2)nn1C(C)(C)C
InChIInChI=1S/C16H27N5O2/c1-11-9-13(19-21(11)16(2,3)4)15(23)18-12-5-7-20(8-6-12)10-14(17)22/h9,12H,5-8,10H2,1-4H3,(H2,17,22)(H,18,23)
InChIKeyVBACBWFENMZILK-UHFFFAOYSA-N
XLogP0.63
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-methylpyrazole-3-carboxamide (CID 51083917) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-methylpyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCN(CC(N)=O)CC2)nn1C(C)(C)C.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-methylpyrazole-3-carboxamide?
The InChIKey is VBACBWFENMZILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-11-9-13(19-21(11)16(2,3)4)15(23)18-12-5-7-20(8-6-12)10-14(17)22/h9,12H,5-8,10H2,1-4H3,(H2,17,22)(H,18,23).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-methylpyrazole-3-carboxamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-methylpyrazole-3-carboxamide has a molecular weight of 321.43 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 51083917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).