N-benzyl-N-(1-butylpiperidin-4-yl)-6-methyl-1H-indazole-3-carboxamide

C25H32N4O — CID 170623200

IUPACN-benzyl-N-(1-butylpiperidin-4-yl)-6-methyl-1H-indazole-3-carboxamide
SMILESCCCCN1CCC(N(Cc2ccccc2)C(=O)c2n[nH]c3cc(C)ccc23)CC1
InChIInChI=1S/C25H32N4O/c1-3-4-14-28-15-12-21(13-16-28)29(18-20-8-6-5-7-9-20)25(30)24-22-11-10-19(2)17-23(22)26-27-24/h5-11,17,21H,3-4,12-16,18H2,1-2H3,(H,26,27)
InChIKeyNSMRNQQODNIEDZ-UHFFFAOYSA-N
MW404.56 g/mol
LogP4.78
Rot. Bonds7

About N-benzyl-N-(1-butylpiperidin-4-yl)-6-methyl-1H-indazole-3-carboxamide

N-benzyl-N-(1-butylpiperidin-4-yl)-6-methyl-1H-indazole-3-carboxamide (PubChem CID 170623200) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is N-benzyl-N-(1-butylpiperidin-4-yl)-6-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(1-butylpiperidin-4-yl)-6-methyl-1H-indazole-3-carboxamide
PubChem CID170623200
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC NameN-benzyl-N-(1-butylpiperidin-4-yl)-6-methyl-1H-indazole-3-carboxamide
SMILESCCCCN1CCC(N(Cc2ccccc2)C(=O)c2n[nH]c3cc(C)ccc23)CC1
InChIInChI=1S/C25H32N4O/c1-3-4-14-28-15-12-21(13-16-28)29(18-20-8-6-5-7-9-20)25(30)24-22-11-10-19(2)17-23(22)26-27-24/h5-11,17,21H,3-4,12-16,18H2,1-2H3,(H,26,27)
InChIKeyNSMRNQQODNIEDZ-UHFFFAOYSA-N
XLogP4.78
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1-butylpiperidin-4-yl)-6-methyl-1H-indazole-3-carboxamide?
The IUPAC name of N-benzyl-N-(1-butylpiperidin-4-yl)-6-methyl-1H-indazole-3-carboxamide (CID 170623200) is N-benzyl-N-(1-butylpiperidin-4-yl)-6-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-benzyl-N-(1-butylpiperidin-4-yl)-6-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for N-benzyl-N-(1-butylpiperidin-4-yl)-6-methyl-1H-indazole-3-carboxamide is CCCCN1CCC(N(Cc2ccccc2)C(=O)c2n[nH]c3cc(C)ccc23)CC1.
What is the InChIKey of N-benzyl-N-(1-butylpiperidin-4-yl)-6-methyl-1H-indazole-3-carboxamide?
The InChIKey is NSMRNQQODNIEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-3-4-14-28-15-12-21(13-16-28)29(18-20-8-6-5-7-9-20)25(30)24-22-11-10-19(2)17-23(22)26-27-24/h5-11,17,21H,3-4,12-16,18H2,1-2H3,(H,26,27).
What are the key properties of N-benzyl-N-(1-butylpiperidin-4-yl)-6-methyl-1H-indazole-3-carboxamide?
N-benzyl-N-(1-butylpiperidin-4-yl)-6-methyl-1H-indazole-3-carboxamide has a molecular weight of 404.56 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1-butylpiperidin-4-yl)-6-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 170623200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).