N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(1-methylindazol-5-yl)benzamide;hydrochloride

C20H23ClN4O2 — CID 154906145

IUPACN-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(1-methylindazol-5-yl)benzamide;hydrochloride
SMILESCl.Cn1ncc2cc(-c3cccc(C(=O)N[C@@H]4CCNC[C@H]4O)c3)ccc21
InChIInChI=1S/C20H22N4O2.ClH/c1-24-18-6-5-14(10-16(18)11-22-24)13-3-2-4-15(9-13)20(26)23-17-7-8-21-12-19(17)25;/h2-6,9-11,17,19,21,25H,7-8,12H2,1H3,(H,23,26);1H/t17-,19-;/m1./s1
InChIKeyBRULOXCSVDCTJM-POCMBTLOSA-N
MW386.88 g/mol
LogP2.11
Rot. Bonds3

About N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(1-methylindazol-5-yl)benzamide;hydrochloride

N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(1-methylindazol-5-yl)benzamide;hydrochloride (PubChem CID 154906145) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(1-methylindazol-5-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(1-methylindazol-5-yl)benzamide;hydrochloride
PubChem CID154906145
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC NameN-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(1-methylindazol-5-yl)benzamide;hydrochloride
SMILESCl.Cn1ncc2cc(-c3cccc(C(=O)N[C@@H]4CCNC[C@H]4O)c3)ccc21
InChIInChI=1S/C20H22N4O2.ClH/c1-24-18-6-5-14(10-16(18)11-22-24)13-3-2-4-15(9-13)20(26)23-17-7-8-21-12-19(17)25;/h2-6,9-11,17,19,21,25H,7-8,12H2,1H3,(H,23,26);1H/t17-,19-;/m1./s1
InChIKeyBRULOXCSVDCTJM-POCMBTLOSA-N
XLogP2.11
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[4-[[(3R,4R)-3-hydroxypiperidin-4-yl]carbamoyl]phenyl]benzoate
CID 119070407
N-[(3R,4S)-3-hydroxypiperidin-4-yl]benzamide
CID 15096814
N-[(3R,4R)-4-hydroxypiperidin-3-yl]-3-(4-methylsulfonylphenyl)benzamide;hydrochloride
CID 154906975
5-[3-(diethylcarbamoyl)phenyl]-N-[(3R,4R)-3-hydroxypiperidin-4-yl]naphthalene-2-carboxamide;hydrochloride
CID 172912613
5-[3-(diethylcarbamoyl)phenyl]-N-[(3R,4R)-3-hydroxypiperidin-4-yl]naphthalene-2-carboxamide
CID 172661154
N-(3-methylpiperidin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride
CID 120553090
N-[(3R,4R)-4-hydroxypiperidin-3-yl]-3-(2-methylquinolin-4-yl)benzamide;dihydrochloride
CID 154903592
3-[6-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-2-yl]-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 164553956
4-(3,5-dimethoxyphenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide
CID 121498106
1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-carboxamide
CID 63326138
4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]benzamide;hydrochloride
CID 155548161
3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120555486

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(1-methylindazol-5-yl)benzamide;hydrochloride?
The IUPAC name of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(1-methylindazol-5-yl)benzamide;hydrochloride (CID 154906145) is N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(1-methylindazol-5-yl)benzamide;hydrochloride.
What is the SMILES notation for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(1-methylindazol-5-yl)benzamide;hydrochloride?
The canonical SMILES for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(1-methylindazol-5-yl)benzamide;hydrochloride is Cl.Cn1ncc2cc(-c3cccc(C(=O)N[C@@H]4CCNC[C@H]4O)c3)ccc21.
What is the InChIKey of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(1-methylindazol-5-yl)benzamide;hydrochloride?
The InChIKey is BRULOXCSVDCTJM-POCMBTLOSA-N. The full InChI is InChI=1S/C20H22N4O2.ClH/c1-24-18-6-5-14(10-16(18)11-22-24)13-3-2-4-15(9-13)20(26)23-17-7-8-21-12-19(17)25;/h2-6,9-11,17,19,21,25H,7-8,12H2,1H3,(H,23,26);1H/t17-,19-;/m1./s1.
What are the key properties of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(1-methylindazol-5-yl)benzamide;hydrochloride?
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(1-methylindazol-5-yl)benzamide;hydrochloride has a molecular weight of 386.88 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(1-methylindazol-5-yl)benzamide;hydrochloride is sourced from PubChem (CID 154906145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).