N-[(1-ethylpyrazol-4-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide

C19H23FN4O2 — CID 24790875

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCCn1cc(CNC(=O)C2CCC(=O)N(Cc3ccccc3F)C2)cn1
InChIInChI=1S/C19H23FN4O2/c1-2-24-11-14(10-22-24)9-21-19(26)16-7-8-18(25)23(13-16)12-15-5-3-4-6-17(15)20/h3-6,10-11,16H,2,7-9,12-13H2,1H3,(H,21,26)
InChIKeyYTXVSVWMVMOOSS-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.10
Rot. Bonds6

About N-[(1-ethylpyrazol-4-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide

N-[(1-ethylpyrazol-4-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24790875) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24790875
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCCn1cc(CNC(=O)C2CCC(=O)N(Cc3ccccc3F)C2)cn1
InChIInChI=1S/C19H23FN4O2/c1-2-24-11-14(10-22-24)9-21-19(26)16-7-8-18(25)23(13-16)12-15-5-3-4-6-17(15)20/h3-6,10-11,16H,2,7-9,12-13H2,1H3,(H,21,26)
InChIKeyYTXVSVWMVMOOSS-UHFFFAOYSA-N
XLogP2.10
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 24790875) is N-[(1-ethylpyrazol-4-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide is CCn1cc(CNC(=O)C2CCC(=O)N(Cc3ccccc3F)C2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is YTXVSVWMVMOOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-2-24-11-14(10-22-24)9-21-19(26)16-7-8-18(25)23(13-16)12-15-5-3-4-6-17(15)20/h3-6,10-11,16H,2,7-9,12-13H2,1H3,(H,21,26).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
N-[(1-ethylpyrazol-4-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24790875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).