1-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-yl]-3H-indol-2-one

C21H26N4O — CID 46986092

IUPAC1-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-yl]-3H-indol-2-one
SMILESC=CCn1cc(CN2CCC(N3C(=O)Cc4ccccc43)CC2)c(C)n1
InChIInChI=1S/C21H26N4O/c1-3-10-24-15-18(16(2)22-24)14-23-11-8-19(9-12-23)25-20-7-5-4-6-17(20)13-21(25)26/h3-7,15,19H,1,8-14H2,2H3
InChIKeyJYWXBQQGVRXNQH-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.93
Rot. Bonds5

About 1-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-yl]-3H-indol-2-one

1-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-yl]-3H-indol-2-one (PubChem CID 46986092) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 1-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-yl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-yl]-3H-indol-2-one
PubChem CID46986092
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name1-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-yl]-3H-indol-2-one
SMILESC=CCn1cc(CN2CCC(N3C(=O)Cc4ccccc43)CC2)c(C)n1
InChIInChI=1S/C21H26N4O/c1-3-10-24-15-18(16(2)22-24)14-23-11-8-19(9-12-23)25-20-7-5-4-6-17(20)13-21(25)26/h3-7,15,19H,1,8-14H2,2H3
InChIKeyJYWXBQQGVRXNQH-UHFFFAOYSA-N
XLogP2.93
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-yl]-3H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-3H-indol-2-one
CID 22558141
1-(1-ethylpiperidin-4-yl)-3H-indol-2-one
CID 71199047
3-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-yl]-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 110220210
1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine
CID 46994188
(3S)-8-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 126449511
(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-ol
CID 95857207
1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine
CID 56714731
1-(1-benzylpiperidin-4-yl)-3,4-dihydroquinolin-2-one
CID 10687182
1-(3-methoxyphenyl)-3-methyl-4-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperazin-2-one
CID 46988297
3-(2,3-dihydro-1H-inden-2-yl)-5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 45174985
1-[1-[4-[4-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]sulfonylphenyl]phenyl]sulfonylpiperidin-4-yl]-3H-indol-2-one
CID 59030980
1-[1-[3-(3-acetyl-7-bromo-2-methylindol-1-yl)propyl]piperidin-4-yl]-3H-indol-2-one
CID 58968030

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-yl]-3H-indol-2-one?
The IUPAC name of 1-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-yl]-3H-indol-2-one (CID 46986092) is 1-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-yl]-3H-indol-2-one.
What is the SMILES notation for 1-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-yl]-3H-indol-2-one?
The canonical SMILES for 1-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-yl]-3H-indol-2-one is C=CCn1cc(CN2CCC(N3C(=O)Cc4ccccc43)CC2)c(C)n1.
What is the InChIKey of 1-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-yl]-3H-indol-2-one?
The InChIKey is JYWXBQQGVRXNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-3-10-24-15-18(16(2)22-24)14-23-11-8-19(9-12-23)25-20-7-5-4-6-17(20)13-21(25)26/h3-7,15,19H,1,8-14H2,2H3.
What are the key properties of 1-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-yl]-3H-indol-2-one?
1-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-yl]-3H-indol-2-one has a molecular weight of 350.47 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-yl]-3H-indol-2-one is sourced from PubChem (CID 46986092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).