N-(1-cyclopentylpiperidin-4-yl)-4-indazol-1-yl-N-methylbenzamide

C25H30N4O — CID 25121656

IUPACN-(1-cyclopentylpiperidin-4-yl)-4-indazol-1-yl-N-methylbenzamide
SMILESCN(C(=O)c1ccc(-n2ncc3ccccc32)cc1)C1CCN(C2CCCC2)CC1
InChIInChI=1S/C25H30N4O/c1-27(21-14-16-28(17-15-21)22-7-3-4-8-22)25(30)19-10-12-23(13-11-19)29-24-9-5-2-6-20(24)18-26-29/h2,5-6,9-13,18,21-22H,3-4,7-8,14-17H2,1H3
InChIKeyGMCNXQKGQDRGHZ-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.50
Rot. Bonds4

About N-(1-cyclopentylpiperidin-4-yl)-4-indazol-1-yl-N-methylbenzamide

N-(1-cyclopentylpiperidin-4-yl)-4-indazol-1-yl-N-methylbenzamide (PubChem CID 25121656) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is N-(1-cyclopentylpiperidin-4-yl)-4-indazol-1-yl-N-methylbenzamide.

Molecular Properties

Compound NameN-(1-cyclopentylpiperidin-4-yl)-4-indazol-1-yl-N-methylbenzamide
PubChem CID25121656
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC NameN-(1-cyclopentylpiperidin-4-yl)-4-indazol-1-yl-N-methylbenzamide
SMILESCN(C(=O)c1ccc(-n2ncc3ccccc32)cc1)C1CCN(C2CCCC2)CC1
InChIInChI=1S/C25H30N4O/c1-27(21-14-16-28(17-15-21)22-7-3-4-8-22)25(30)19-10-12-23(13-11-19)29-24-9-5-2-6-20(24)18-26-29/h2,5-6,9-13,18,21-22H,3-4,7-8,14-17H2,1H3
InChIKeyGMCNXQKGQDRGHZ-UHFFFAOYSA-N
XLogP4.50
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylpiperidin-4-yl)-4-indazol-1-yl-N-methylbenzamide?
The IUPAC name of N-(1-cyclopentylpiperidin-4-yl)-4-indazol-1-yl-N-methylbenzamide (CID 25121656) is N-(1-cyclopentylpiperidin-4-yl)-4-indazol-1-yl-N-methylbenzamide.
What is the SMILES notation for N-(1-cyclopentylpiperidin-4-yl)-4-indazol-1-yl-N-methylbenzamide?
The canonical SMILES for N-(1-cyclopentylpiperidin-4-yl)-4-indazol-1-yl-N-methylbenzamide is CN(C(=O)c1ccc(-n2ncc3ccccc32)cc1)C1CCN(C2CCCC2)CC1.
What is the InChIKey of N-(1-cyclopentylpiperidin-4-yl)-4-indazol-1-yl-N-methylbenzamide?
The InChIKey is GMCNXQKGQDRGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-27(21-14-16-28(17-15-21)22-7-3-4-8-22)25(30)19-10-12-23(13-11-19)29-24-9-5-2-6-20(24)18-26-29/h2,5-6,9-13,18,21-22H,3-4,7-8,14-17H2,1H3.
What are the key properties of N-(1-cyclopentylpiperidin-4-yl)-4-indazol-1-yl-N-methylbenzamide?
N-(1-cyclopentylpiperidin-4-yl)-4-indazol-1-yl-N-methylbenzamide has a molecular weight of 402.54 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylpiperidin-4-yl)-4-indazol-1-yl-N-methylbenzamide is sourced from PubChem (CID 25121656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).