(2-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone

C17H21FN4O — CID 86808741

IUPAC(2-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone
SMILESCc1[nH]ncc1CNC1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C17H21FN4O/c1-12-13(11-20-21-12)10-19-14-6-8-22(9-7-14)17(23)15-4-2-3-5-16(15)18/h2-5,11,14,19H,6-10H2,1H3,(H,20,21)
InChIKeyJCVVMXMBTCGZJQ-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.25
Rot. Bonds4

About (2-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone

(2-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone (PubChem CID 86808741) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone
PubChem CID86808741
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name(2-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone
SMILESCc1[nH]ncc1CNC1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C17H21FN4O/c1-12-13(11-20-21-12)10-19-14-6-8-22(9-7-14)17(23)15-4-2-3-5-16(15)18/h2-5,11,14,19H,6-10H2,1H3,(H,20,21)
InChIKeyJCVVMXMBTCGZJQ-UHFFFAOYSA-N
XLogP2.25
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone (CID 86808741) is (2-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone is Cc1[nH]ncc1CNC1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of (2-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone?
The InChIKey is JCVVMXMBTCGZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-12-13(11-20-21-12)10-19-14-6-8-22(9-7-14)17(23)15-4-2-3-5-16(15)18/h2-5,11,14,19H,6-10H2,1H3,(H,20,21).
What are the key properties of (2-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone?
(2-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone has a molecular weight of 316.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone is sourced from PubChem (CID 86808741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).