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

C23H29ClN4O — CID 71462661

IUPAC1-methyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride
SMILESCl.Cn1nc(C(=O)NCC2CCN(CCc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C23H28N4O.ClH/c1-26-21-10-6-5-9-20(21)22(25-26)23(28)24-17-19-12-15-27(16-13-19)14-11-18-7-3-2-4-8-18;/h2-10,19H,11-17H2,1H3,(H,24,28);1H
InChIKeyMWOWQWRAYMUPOP-UHFFFAOYSA-N
MW412.97 g/mol
LogP3.68
Rot. Bonds6

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

1-methyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride (PubChem CID 71462661) has the molecular formula C23H29ClN4O and a molecular weight of 412.97 g/mol. Its IUPAC name is 1-methyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-methyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride
PubChem CID71462661
Molecular FormulaC23H29ClN4O
Molecular Weight412.97 g/mol
Exact Mass412.20
IUPAC Name1-methyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride
SMILESCl.Cn1nc(C(=O)NCC2CCN(CCc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C23H28N4O.ClH/c1-26-21-10-6-5-9-20(21)22(25-26)23(28)24-17-19-12-15-27(16-13-19)14-11-18-7-3-2-4-8-18;/h2-10,19H,11-17H2,1H3,(H,24,28);1H
InChIKeyMWOWQWRAYMUPOP-UHFFFAOYSA-N
XLogP3.68
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.97
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-(3-methylbutyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride
CID 71455509
N-[(4-chlorocyclohexyl)methyl]-1-methylindazole-3-carboxamide
CID 106133570
N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methylindazole-3-carboxamide;hydrochloride
CID 24802626
2-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzamide
CID 16895768
N-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 10834269
1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]urea
CID 72879483
1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]indazole-3-carboxamide
CID 131924675
2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 16895752
N-[[2-(chloromethyl)cyclopentyl]methyl]-1-methylindazole-3-carboxamide
CID 103122653
N-benzyl-1-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92637488
N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2-methoxyethyl)indazole-3-carboxamide;hydrochloride
CID 24946470
1-methyl-N-(5-piperidin-1-ylpentyl)indazole-3-carboxamide
CID 54486483

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-methyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride (CID 71462661) is 1-methyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-methyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-methyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride is Cl.Cn1nc(C(=O)NCC2CCN(CCc3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 1-methyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride?
The InChIKey is MWOWQWRAYMUPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O.ClH/c1-26-21-10-6-5-9-20(21)22(25-26)23(28)24-17-19-12-15-27(16-13-19)14-11-18-7-3-2-4-8-18;/h2-10,19H,11-17H2,1H3,(H,24,28);1H.
What are the key properties of 1-methyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride?
1-methyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride has a molecular weight of 412.97 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 71462661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).