N-(1-benzylpiperidin-4-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide

C26H31N5O2 — CID 46378633

IUPACN-(1-benzylpiperidin-4-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(=O)N2CCCC2)c2ccccc21)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H31N5O2/c32-24(27-21-12-16-29(17-13-21)18-20-8-2-1-3-9-20)19-31-23-11-5-4-10-22(23)25(28-31)26(33)30-14-6-7-15-30/h1-5,8-11,21H,6-7,12-19H2,(H,27,32)
InChIKeyFXTDXJOJGVEFLM-UHFFFAOYSA-N
MW445.57 g/mol
LogP3.05
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide

N-(1-benzylpiperidin-4-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide (PubChem CID 46378633) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
PubChem CID46378633
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(=O)N2CCCC2)c2ccccc21)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H31N5O2/c32-24(27-21-12-16-29(17-13-21)18-20-8-2-1-3-9-20)19-31-23-11-5-4-10-22(23)25(28-31)26(33)30-14-6-7-15-30/h1-5,8-11,21H,6-7,12-19H2,(H,27,32)
InChIKeyFXTDXJOJGVEFLM-UHFFFAOYSA-N
XLogP3.05
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-3-ylmethyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
CID 50821337
N-(4-chlorophenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
CID 22583453
N-(1-benzylpiperidin-4-yl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108521147
1-piperidin-1-yl-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone
CID 46378636
N-(1-benzylpiperidin-4-yl)-2-(1-oxophthalazin-2-yl)acetamide
CID 35558093
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
CID 50821389
N-(4-acetylphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
CID 46378627
1-(3-benzyl-4-oxophthalazine-1-carbonyl)-N-cyclopropylpiperidine-4-carboxamide
CID 55903511
N-(1-benzylpiperidin-4-yl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide
CID 53207408
1-(4-phenylpiperazin-1-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone
CID 50806834
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(1-benzylpiperidin-4-yl)acetamide
CID 11932070

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide (CID 46378633) is N-(1-benzylpiperidin-4-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide is O=C(Cn1nc(C(=O)N2CCCC2)c2ccccc21)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide?
The InChIKey is FXTDXJOJGVEFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c32-24(27-21-12-16-29(17-13-21)18-20-8-2-1-3-9-20)19-31-23-11-5-4-10-22(23)25(28-31)26(33)30-14-6-7-15-30/h1-5,8-11,21H,6-7,12-19H2,(H,27,32).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide?
N-(1-benzylpiperidin-4-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide has a molecular weight of 445.57 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide is sourced from PubChem (CID 46378633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).