(3R)-1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide

C19H23FN4O3 — CID 26871418

IUPAC(3R)-1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide
SMILESCOCc1cc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3F)C2)[nH]n1
InChIInChI=1S/C19H23FN4O3/c1-27-12-16-8-15(22-23-16)9-21-19(26)14-6-7-18(25)24(11-14)10-13-4-2-3-5-17(13)20/h2-5,8,14H,6-7,9-12H2,1H3,(H,21,26)(H,22,23)/t14-/m1/s1
InChIKeyZMOHUSUSYUNDEM-CQSZACIVSA-N
MW374.42 g/mol
LogP1.75
Rot. Bonds7

About (3R)-1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide

(3R)-1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 26871418) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is (3R)-1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide
PubChem CID26871418
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Name(3R)-1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide
SMILESCOCc1cc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3F)C2)[nH]n1
InChIInChI=1S/C19H23FN4O3/c1-27-12-16-8-15(22-23-16)9-21-19(26)14-6-7-18(25)24(11-14)10-13-4-2-3-5-17(13)20/h2-5,8,14H,6-7,9-12H2,1H3,(H,21,26)(H,22,23)/t14-/m1/s1
InChIKeyZMOHUSUSYUNDEM-CQSZACIVSA-N
XLogP1.75
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide (CID 26871418) is (3R)-1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide is COCc1cc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3F)C2)[nH]n1.
What is the InChIKey of (3R)-1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is ZMOHUSUSYUNDEM-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-27-12-16-8-15(22-23-16)9-21-19(26)14-6-7-18(25)24(11-14)10-13-4-2-3-5-17(13)20/h2-5,8,14H,6-7,9-12H2,1H3,(H,21,26)(H,22,23)/t14-/m1/s1.
What are the key properties of (3R)-1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide?
(3R)-1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 26871418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).