4-(3,5-dimethoxyphenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide

C20H24N2O4 — CID 121498106

IUPAC4-(3,5-dimethoxyphenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide
SMILESCOc1cc(OC)cc(-c2ccc(C(=O)N[C@@H]3CCNC[C@H]3O)cc2)c1
InChIInChI=1S/C20H24N2O4/c1-25-16-9-15(10-17(11-16)26-2)13-3-5-14(6-4-13)20(24)22-18-7-8-21-12-19(18)23/h3-6,9-11,18-19,21,23H,7-8,12H2,1-2H3,(H,22,24)/t18-,19-/m1/s1
InChIKeyFEXAEABFMOAREV-RTBURBONSA-N
MW356.42 g/mol
LogP1.82
Rot. Bonds5

About 4-(3,5-dimethoxyphenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide

4-(3,5-dimethoxyphenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide (PubChem CID 121498106) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide
PubChem CID121498106
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name4-(3,5-dimethoxyphenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide
SMILESCOc1cc(OC)cc(-c2ccc(C(=O)N[C@@H]3CCNC[C@H]3O)cc2)c1
InChIInChI=1S/C20H24N2O4/c1-25-16-9-15(10-17(11-16)26-2)13-3-5-14(6-4-13)20(24)22-18-7-8-21-12-19(18)23/h3-6,9-11,18-19,21,23H,7-8,12H2,1-2H3,(H,22,24)/t18-,19-/m1/s1
InChIKeyFEXAEABFMOAREV-RTBURBONSA-N
XLogP1.82
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 51.82
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-(4-hydroxyazepan-3-yl)-4-methoxybenzamide
CID 74505343
N-[(3R,4S)-3-hydroxypiperidin-4-yl]benzamide
CID 15096814
3,5-dimethoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119424226
4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557720
3,4-dimethoxy-N-(4-methylpiperidin-3-yl)benzamide
CID 63326349
N-(3-cyanopiperidin-4-yl)-3-methoxybenzamide;hydrochloride
CID 140694639
N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybenzamide
CID 120556672
4-phenoxy-N-[(3R,4R)-4-(4-phenylphenyl)piperidin-3-yl]benzamide
CID 25115052
4-ethoxy-3-methoxy-N-(3-methylpiperidin-4-yl)benzamide
CID 120556500
2,4-dimethoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzamide
CID 124516888
4-(cyclopropylmethoxy)-N-(3-methylpiperidin-4-yl)benzamide
CID 120556355

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxyphenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide?
The IUPAC name of 4-(3,5-dimethoxyphenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide (CID 121498106) is 4-(3,5-dimethoxyphenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide.
What is the SMILES notation for 4-(3,5-dimethoxyphenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide?
The canonical SMILES for 4-(3,5-dimethoxyphenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide is COc1cc(OC)cc(-c2ccc(C(=O)N[C@@H]3CCNC[C@H]3O)cc2)c1.
What is the InChIKey of 4-(3,5-dimethoxyphenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide?
The InChIKey is FEXAEABFMOAREV-RTBURBONSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-25-16-9-15(10-17(11-16)26-2)13-3-5-14(6-4-13)20(24)22-18-7-8-21-12-19(18)23/h3-6,9-11,18-19,21,23H,7-8,12H2,1-2H3,(H,22,24)/t18-,19-/m1/s1.
What are the key properties of 4-(3,5-dimethoxyphenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide?
4-(3,5-dimethoxyphenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide has a molecular weight of 356.42 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxyphenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide is sourced from PubChem (CID 121498106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).