(3R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-[(2-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide

C26H29FN4O2 — CID 42593770

IUPAC(3R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-[(2-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCc1cc(C)n(-c2cccc(CN(C)C(=O)[C@@H]3CCC(=O)N(Cc4ccccc4F)C3)c2)n1
InChIInChI=1S/C26H29FN4O2/c1-18-13-19(2)31(28-18)23-9-6-7-20(14-23)15-29(3)26(33)22-11-12-25(32)30(17-22)16-21-8-4-5-10-24(21)27/h4-10,13-14,22H,11-12,15-17H2,1-3H3/t22-/m1/s1
InChIKeyRKEOSYOBOPWSKZ-JOCHJYFZSA-N
MW448.54 g/mol
LogP4.03
Rot. Bonds6

About (3R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-[(2-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide

(3R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-[(2-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 42593770) has the molecular formula C26H29FN4O2 and a molecular weight of 448.54 g/mol. Its IUPAC name is (3R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-[(2-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-[(2-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
PubChem CID42593770
Molecular FormulaC26H29FN4O2
Molecular Weight448.54 g/mol
Exact Mass448.23
IUPAC Name(3R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-[(2-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCc1cc(C)n(-c2cccc(CN(C)C(=O)[C@@H]3CCC(=O)N(Cc4ccccc4F)C3)c2)n1
InChIInChI=1S/C26H29FN4O2/c1-18-13-19(2)31(28-18)23-9-6-7-20(14-23)15-29(3)26(33)22-11-12-25(32)30(17-22)16-21-8-4-5-10-24(21)27/h4-10,13-14,22H,11-12,15-17H2,1-3H3/t22-/m1/s1
InChIKeyRKEOSYOBOPWSKZ-JOCHJYFZSA-N
XLogP4.03
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-[(2-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 25288089
(3S)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 25288010
1-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 72873492
N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]acetamide
CID 97274352
1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methyl-3-(1-methyl-6-oxopiperidin-3-yl)urea
CID 121499311
(3S)-1-[(3-fluorophenyl)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 42098510
1-[(2-fluorophenyl)methyl]-6-oxo-N-[(3-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 45250692
(3R)-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
CID 42097750
(3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
CID 25446525
(3S)-1-benzyl-N-[(3-fluorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 34904790
N-benzyl-N-ethyl-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183425
2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]acetic acid;ethane
CID 144722920

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-[(2-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-[(2-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide (CID 42593770) is (3R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-[(2-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-[(2-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-[(2-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide is Cc1cc(C)n(-c2cccc(CN(C)C(=O)[C@@H]3CCC(=O)N(Cc4ccccc4F)C3)c2)n1.
What is the InChIKey of (3R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-[(2-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is RKEOSYOBOPWSKZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H29FN4O2/c1-18-13-19(2)31(28-18)23-9-6-7-20(14-23)15-29(3)26(33)22-11-12-25(32)30(17-22)16-21-8-4-5-10-24(21)27/h4-10,13-14,22H,11-12,15-17H2,1-3H3/t22-/m1/s1.
What are the key properties of (3R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-[(2-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
(3R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-[(2-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 448.54 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-[(2-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 42593770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).