2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]acetamide

C21H30FN5O — CID 92624506

IUPAC2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]acetamide
SMILESCN(CC(=O)N(C)Cc1cc(C2CCNCC2)nn1C)Cc1ccc(F)cc1
InChIInChI=1S/C21H30FN5O/c1-25(13-16-4-6-18(22)7-5-16)15-21(28)26(2)14-19-12-20(24-27(19)3)17-8-10-23-11-9-17/h4-7,12,17,23H,8-11,13-15H2,1-3H3
InChIKeySPRYCYURMOFVTA-UHFFFAOYSA-N
MW387.50 g/mol
LogP2.12
Rot. Bonds7

About 2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]acetamide

2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]acetamide (PubChem CID 92624506) has the molecular formula C21H30FN5O and a molecular weight of 387.50 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]acetamide
PubChem CID92624506
Molecular FormulaC21H30FN5O
Molecular Weight387.50 g/mol
Exact Mass387.24
IUPAC Name2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]acetamide
SMILESCN(CC(=O)N(C)Cc1cc(C2CCNCC2)nn1C)Cc1ccc(F)cc1
InChIInChI=1S/C21H30FN5O/c1-25(13-16-4-6-18(22)7-5-16)15-21(28)26(2)14-19-12-20(24-27(19)3)17-8-10-23-11-9-17/h4-7,12,17,23H,8-11,13-15H2,1-3H3
InChIKeySPRYCYURMOFVTA-UHFFFAOYSA-N
XLogP2.12
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]acetamide (CID 92624506) is 2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]acetamide is CN(CC(=O)N(C)Cc1cc(C2CCNCC2)nn1C)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]acetamide?
The InChIKey is SPRYCYURMOFVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN5O/c1-25(13-16-4-6-18(22)7-5-16)15-21(28)26(2)14-19-12-20(24-27(19)3)17-8-10-23-11-9-17/h4-7,12,17,23H,8-11,13-15H2,1-3H3.
What are the key properties of 2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]acetamide?
2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]acetamide has a molecular weight of 387.50 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]acetamide is sourced from PubChem (CID 92624506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).