1-(3-methylbutyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride

C27H37ClN4O — CID 71455509

IUPAC1-(3-methylbutyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride
SMILESCC(C)CCn1nc(C(=O)NCC2CCN(CCc3ccccc3)CC2)c2ccccc21.Cl
InChIInChI=1S/C27H36N4O.ClH/c1-21(2)12-19-31-25-11-7-6-10-24(25)26(29-31)27(32)28-20-23-14-17-30(18-15-23)16-13-22-8-4-3-5-9-22;/h3-11,21,23H,12-20H2,1-2H3,(H,28,32);1H
InChIKeyYRSJBPKTQBKELB-UHFFFAOYSA-N
MW469.07 g/mol
LogP5.19
Rot. Bonds9

About 1-(3-methylbutyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride

1-(3-methylbutyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride (PubChem CID 71455509) has the molecular formula C27H37ClN4O and a molecular weight of 469.07 g/mol. Its IUPAC name is 1-(3-methylbutyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-methylbutyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride
PubChem CID71455509
Molecular FormulaC27H37ClN4O
Molecular Weight469.07 g/mol
Exact Mass468.27
IUPAC Name1-(3-methylbutyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride
SMILESCC(C)CCn1nc(C(=O)NCC2CCN(CCc3ccccc3)CC2)c2ccccc21.Cl
InChIInChI=1S/C27H36N4O.ClH/c1-21(2)12-19-31-25-11-7-6-10-24(25)26(29-31)27(32)28-20-23-14-17-30(18-15-23)16-13-22-8-4-3-5-9-22;/h3-11,21,23H,12-20H2,1-2H3,(H,28,32);1H
InChIKeyYRSJBPKTQBKELB-UHFFFAOYSA-N
XLogP5.19
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.07
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-methylbutyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride
CID 71462661
N-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 10834269
4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride
CID 120565089
4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide
CID 120565090
2-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzamide
CID 16895768
1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]urea
CID 72879483
N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methylindazole-3-carboxamide;hydrochloride
CID 24802626
N-benzyl-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 53179909
(2S)-2-[[1-(2-phenylethyl)piperidin-4-yl]methylamino]propan-1-ol
CID 95130314
N-[1-(4-phenylbutyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 11796305
N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2-methoxyethyl)indazole-3-carboxamide;hydrochloride
CID 24946470
2-(methylamino)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 120704332

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-(3-methylbutyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride (CID 71455509) is 1-(3-methylbutyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-methylbutyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-methylbutyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride is CC(C)CCn1nc(C(=O)NCC2CCN(CCc3ccccc3)CC2)c2ccccc21.Cl.
What is the InChIKey of 1-(3-methylbutyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride?
The InChIKey is YRSJBPKTQBKELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O.ClH/c1-21(2)12-19-31-25-11-7-6-10-24(25)26(29-31)27(32)28-20-23-14-17-30(18-15-23)16-13-22-8-4-3-5-9-22;/h3-11,21,23H,12-20H2,1-2H3,(H,28,32);1H.
What are the key properties of 1-(3-methylbutyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride?
1-(3-methylbutyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride has a molecular weight of 469.07 g/mol, XLogP of 5.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 71455509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).