[4-[(1-tert-butylpyrazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone

C19H27N5O — CID 56814903

IUPAC[4-[(1-tert-butylpyrazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCC(C)(C)n1cc(CNC2CCN(C(=O)c3ccncc3)CC2)cn1
InChIInChI=1S/C19H27N5O/c1-19(2,3)24-14-15(13-22-24)12-21-17-6-10-23(11-7-17)18(25)16-4-8-20-9-5-16/h4-5,8-9,13-14,17,21H,6-7,10-12H2,1-3H3
InChIKeyKCRULWPUBGGGNU-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.43
Rot. Bonds4

About [4-[(1-tert-butylpyrazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone

[4-[(1-tert-butylpyrazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 56814903) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is [4-[(1-tert-butylpyrazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(1-tert-butylpyrazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID56814903
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name[4-[(1-tert-butylpyrazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCC(C)(C)n1cc(CNC2CCN(C(=O)c3ccncc3)CC2)cn1
InChIInChI=1S/C19H27N5O/c1-19(2,3)24-14-15(13-22-24)12-21-17-6-10-23(11-7-17)18(25)16-4-8-20-9-5-16/h4-5,8-9,13-14,17,21H,6-7,10-12H2,1-3H3
InChIKeyKCRULWPUBGGGNU-UHFFFAOYSA-N
XLogP2.43
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(1-tert-butylpyrazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-[(1-tert-butylpyrazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone (CID 56814903) is [4-[(1-tert-butylpyrazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-[(1-tert-butylpyrazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-[(1-tert-butylpyrazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone is CC(C)(C)n1cc(CNC2CCN(C(=O)c3ccncc3)CC2)cn1.
What is the InChIKey of [4-[(1-tert-butylpyrazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is KCRULWPUBGGGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-19(2,3)24-14-15(13-22-24)12-21-17-6-10-23(11-7-17)18(25)16-4-8-20-9-5-16/h4-5,8-9,13-14,17,21H,6-7,10-12H2,1-3H3.
What are the key properties of [4-[(1-tert-butylpyrazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone?
[4-[(1-tert-butylpyrazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 341.46 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-tert-butylpyrazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 56814903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).