2,2-dimethyl-4-piperidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide;N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide

C42H55FN10O2 — CID 143928708

IUPAC2,2-dimethyl-4-piperidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide;N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide
SMILESCC(C)(CCN1CCCCC1)C(=O)Nc1cc(-c2cnc3ccccc3c2)[nH]n1.CC(C)(CCN1CCCCC1)C(=O)Nc1cc(-c2cncc(F)c2)[nH]n1
InChIInChI=1S/C23H29N5O.C19H26FN5O/c1-23(2,10-13-28-11-6-3-7-12-28)22(29)25-21-15-20(26-27-21)18-14-17-8-4-5-9-19(17)24-16-18;1-19(2,6-9-25-7-4-3-5-8-25)18(26)22-17-11-16(23-24-17)14-10-15(20)13-21-12-14/h4-5,8-9,14-16H,3,6-7,10-13H2,1-2H3,(H2,25,26,27,29);10-13H,3-9H2,1-2H3,(H2,22,23,24,26)
InChIKeyNJIMVNOJXKGSPI-UHFFFAOYSA-N
MW750.97 g/mol
LogP7.92
Rot. Bonds12

About 2,2-dimethyl-4-piperidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide;N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide

2,2-dimethyl-4-piperidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide;N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide (PubChem CID 143928708) has the molecular formula C42H55FN10O2 and a molecular weight of 750.97 g/mol. Its IUPAC name is 2,2-dimethyl-4-piperidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide;N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound Name2,2-dimethyl-4-piperidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide;N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide
PubChem CID143928708
Molecular FormulaC42H55FN10O2
Molecular Weight750.97 g/mol
Exact Mass750.45
IUPAC Name2,2-dimethyl-4-piperidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide;N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide
SMILESCC(C)(CCN1CCCCC1)C(=O)Nc1cc(-c2cnc3ccccc3c2)[nH]n1.CC(C)(CCN1CCCCC1)C(=O)Nc1cc(-c2cncc(F)c2)[nH]n1
InChIInChI=1S/C23H29N5O.C19H26FN5O/c1-23(2,10-13-28-11-6-3-7-12-28)22(29)25-21-15-20(26-27-21)18-14-17-8-4-5-9-19(17)24-16-18;1-19(2,6-9-25-7-4-3-5-8-25)18(26)22-17-11-16(23-24-17)14-10-15(20)13-21-12-14/h4-5,8-9,14-16H,3,6-7,10-13H2,1-2H3,(H2,25,26,27,29);10-13H,3-9H2,1-2H3,(H2,22,23,24,26)
InChIKeyNJIMVNOJXKGSPI-UHFFFAOYSA-N
XLogP7.92
TPSA147.82 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.97
LogP ≤ 57.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2,2-dimethyl-4-piperidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide;N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-piperidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide;N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide?
The IUPAC name of 2,2-dimethyl-4-piperidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide;N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide (CID 143928708) is 2,2-dimethyl-4-piperidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide;N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide.
What is the SMILES notation for 2,2-dimethyl-4-piperidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide;N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide?
The canonical SMILES for 2,2-dimethyl-4-piperidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide;N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide is CC(C)(CCN1CCCCC1)C(=O)Nc1cc(-c2cnc3ccccc3c2)[nH]n1.CC(C)(CCN1CCCCC1)C(=O)Nc1cc(-c2cncc(F)c2)[nH]n1.
What is the InChIKey of 2,2-dimethyl-4-piperidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide;N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide?
The InChIKey is NJIMVNOJXKGSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O.C19H26FN5O/c1-23(2,10-13-28-11-6-3-7-12-28)22(29)25-21-15-20(26-27-21)18-14-17-8-4-5-9-19(17)24-16-18;1-19(2,6-9-25-7-4-3-5-8-25)18(26)22-17-11-16(23-24-17)14-10-15(20)13-21-12-14/h4-5,8-9,14-16H,3,6-7,10-13H2,1-2H3,(H2,25,26,27,29);10-13H,3-9H2,1-2H3,(H2,22,23,24,26).
What are the key properties of 2,2-dimethyl-4-piperidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide;N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide?
2,2-dimethyl-4-piperidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide;N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide has a molecular weight of 750.97 g/mol, XLogP of 7.92, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-piperidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide;N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 143928708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).