3-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one

C22H24N4O2 — CID 95204664

IUPAC3-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCC[C@H](c3[nH]ncc3Cc3ccccc3)C2)c(=O)[nH]1
InChIInChI=1S/C22H24N4O2/c1-15-9-10-19(21(27)24-15)22(28)26-11-5-8-17(14-26)20-18(13-23-25-20)12-16-6-3-2-4-7-16/h2-4,6-7,9-10,13,17H,5,8,11-12,14H2,1H3,(H,23,25)(H,24,27)/t17-/m0/s1
InChIKeyFAUBGDLQNWXUAW-KRWDZBQOSA-N
MW376.46 g/mol
LogP3.02
Rot. Bonds4

About 3-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one

3-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one (PubChem CID 95204664) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
PubChem CID95204664
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCC[C@H](c3[nH]ncc3Cc3ccccc3)C2)c(=O)[nH]1
InChIInChI=1S/C22H24N4O2/c1-15-9-10-19(21(27)24-15)22(28)26-11-5-8-17(14-26)20-18(13-23-25-20)12-16-6-3-2-4-7-16/h2-4,6-7,9-10,13,17H,5,8,11-12,14H2,1H3,(H,23,25)(H,24,27)/t17-/m0/s1
InChIKeyFAUBGDLQNWXUAW-KRWDZBQOSA-N
XLogP3.02
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 95228413
2-amino-1-[(3R)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95207545
[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 70746215
6-[(3R)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 95218749
2-amino-1-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 56740582
[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 95225899
(1-aminocyclopropyl)-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95197421
[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 56700469
[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
CID 126467483
[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 95188191
6-methyl-3-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 125025852
6-methyl-3-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 125021912

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one (CID 95204664) is 3-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one is Cc1ccc(C(=O)N2CCC[C@H](c3[nH]ncc3Cc3ccccc3)C2)c(=O)[nH]1.
What is the InChIKey of 3-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is FAUBGDLQNWXUAW-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-9-10-19(21(27)24-15)22(28)26-11-5-8-17(14-26)20-18(13-23-25-20)12-16-6-3-2-4-7-16/h2-4,6-7,9-10,13,17H,5,8,11-12,14H2,1H3,(H,23,25)(H,24,27)/t17-/m0/s1.
What are the key properties of 3-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
3-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 376.46 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 95204664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).