2-[2-oxo-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-indazol-3-one

C19H24N4O3 — CID 118761404

IUPAC2-[2-oxo-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-indazol-3-one
SMILESO=C([C@@H]1CCCN1C(=O)Cn1[nH]c2ccccc2c1=O)N1CCCCC1
InChIInChI=1S/C19H24N4O3/c24-17(13-23-18(25)14-7-2-3-8-15(14)20-23)22-12-6-9-16(22)19(26)21-10-4-1-5-11-21/h2-3,7-8,16,20H,1,4-6,9-13H2/t16-/m0/s1
InChIKeyUUYVUDUOZMKHJB-INIZCTEOSA-N
MW356.43 g/mol
LogP1.33
Rot. Bonds3

About 2-[2-oxo-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-indazol-3-one

2-[2-oxo-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-indazol-3-one (PubChem CID 118761404) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[2-oxo-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-indazol-3-one.

Molecular Properties

Compound Name2-[2-oxo-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-indazol-3-one
PubChem CID118761404
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name2-[2-oxo-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-indazol-3-one
SMILESO=C([C@@H]1CCCN1C(=O)Cn1[nH]c2ccccc2c1=O)N1CCCCC1
InChIInChI=1S/C19H24N4O3/c24-17(13-23-18(25)14-7-2-3-8-15(14)20-23)22-12-6-9-16(22)19(26)21-10-4-1-5-11-21/h2-3,7-8,16,20H,1,4-6,9-13H2/t16-/m0/s1
InChIKeyUUYVUDUOZMKHJB-INIZCTEOSA-N
XLogP1.33
TPSA78.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperidine-2-carboxylic acid
CID 119176148
3-[2-(azocan-1-yl)-2-oxoethyl]-2H-phthalazine-1,4-dione
CID 51145503
3-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-phthalazine-1,4-dione
CID 16614267
3-[2-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione
CID 51269992
1-[(2R)-2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 94582616
1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 53015946
4-phenyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 3081017
N-(cyclopropylmethyl)-1-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]piperidine-3-carboxamide
CID 55868809
3-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione
CID 51338957
2-bromo-1-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 102537702
3-[2-oxo-2-[(2S)-2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-quinolin-2-one
CID 166270647
1-[2-(9-oxoacridin-10-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119355662

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-indazol-3-one?
The IUPAC name of 2-[2-oxo-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-indazol-3-one (CID 118761404) is 2-[2-oxo-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-indazol-3-one.
What is the SMILES notation for 2-[2-oxo-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-indazol-3-one?
The canonical SMILES for 2-[2-oxo-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-indazol-3-one is O=C([C@@H]1CCCN1C(=O)Cn1[nH]c2ccccc2c1=O)N1CCCCC1.
What is the InChIKey of 2-[2-oxo-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-indazol-3-one?
The InChIKey is UUYVUDUOZMKHJB-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N4O3/c24-17(13-23-18(25)14-7-2-3-8-15(14)20-23)22-12-6-9-16(22)19(26)21-10-4-1-5-11-21/h2-3,7-8,16,20H,1,4-6,9-13H2/t16-/m0/s1.
What are the key properties of 2-[2-oxo-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-indazol-3-one?
2-[2-oxo-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-indazol-3-one has a molecular weight of 356.43 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-indazol-3-one is sourced from PubChem (CID 118761404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).