1-piperidin-1-yl-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone

C19H24N4O2 — CID 46378636

IUPAC1-piperidin-1-yl-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone
SMILESO=C(Cn1nc(C(=O)N2CCCC2)c2ccccc21)N1CCCCC1
InChIInChI=1S/C19H24N4O2/c24-17(21-10-4-1-5-11-21)14-23-16-9-3-2-8-15(16)18(20-23)19(25)22-12-6-7-13-22/h2-3,8-9H,1,4-7,10-14H2
InChIKeyLXWHEXRQWHOVFQ-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.28
Rot. Bonds3

About 1-piperidin-1-yl-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone

1-piperidin-1-yl-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone (PubChem CID 46378636) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone
PubChem CID46378636
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-piperidin-1-yl-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone
SMILESO=C(Cn1nc(C(=O)N2CCCC2)c2ccccc21)N1CCCCC1
InChIInChI=1S/C19H24N4O2/c24-17(21-10-4-1-5-11-21)14-23-16-9-3-2-8-15(16)18(20-23)19(25)22-12-6-7-13-22/h2-3,8-9H,1,4-7,10-14H2
InChIKeyLXWHEXRQWHOVFQ-UHFFFAOYSA-N
XLogP2.28
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-phenylpiperazin-1-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone
CID 50806834
1-(azepan-1-yl)-2-(3-methylindazol-1-yl)ethanone
CID 20886096
1-[2-(azepan-1-yl)-2-oxoethyl]indazole-3-carbonitrile
CID 99782830
N-(4-chlorophenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
CID 22583453
N-(4-acetylphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
CID 46378627
N-(pyridin-3-ylmethyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
CID 50821337
4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)phthalazine-1-carboxylic acid
CID 2363596
(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 110848618
(1-bromoindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 123818854
1-[3-(piperidine-1-carbonyl)indazol-1-yl]ethanone
CID 15268068
4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylic acid
CID 2386911
N-(1-benzylpiperidin-4-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
CID 46378633

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone?
The IUPAC name of 1-piperidin-1-yl-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone (CID 46378636) is 1-piperidin-1-yl-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone is O=C(Cn1nc(C(=O)N2CCCC2)c2ccccc21)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone?
The InChIKey is LXWHEXRQWHOVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-17(21-10-4-1-5-11-21)14-23-16-9-3-2-8-15(16)18(20-23)19(25)22-12-6-7-13-22/h2-3,8-9H,1,4-7,10-14H2.
What are the key properties of 1-piperidin-1-yl-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone?
1-piperidin-1-yl-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone has a molecular weight of 340.43 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone is sourced from PubChem (CID 46378636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).