3-(dimethylamino)-N-[(3R,4R)-4-hydroxy-1-(2-morpholin-4-ylethyl)piperidin-3-yl]benzamide

C20H32N4O3 — CID 154815880

IUPAC3-(dimethylamino)-N-[(3R,4R)-4-hydroxy-1-(2-morpholin-4-ylethyl)piperidin-3-yl]benzamide
SMILESCN(C)c1cccc(C(=O)N[C@@H]2CN(CCN3CCOCC3)CC[C@H]2O)c1
InChIInChI=1S/C20H32N4O3/c1-22(2)17-5-3-4-16(14-17)20(26)21-18-15-24(7-6-19(18)25)9-8-23-10-12-27-13-11-23/h3-5,14,18-19,25H,6-13,15H2,1-2H3,(H,21,26)/t18-,19-/m1/s1
InChIKeyRGXWQDSWYIMFDV-RTBURBONSA-N
MW376.50 g/mol
LogP0.25
Rot. Bonds6

About 3-(dimethylamino)-N-[(3R,4R)-4-hydroxy-1-(2-morpholin-4-ylethyl)piperidin-3-yl]benzamide

3-(dimethylamino)-N-[(3R,4R)-4-hydroxy-1-(2-morpholin-4-ylethyl)piperidin-3-yl]benzamide (PubChem CID 154815880) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[(3R,4R)-4-hydroxy-1-(2-morpholin-4-ylethyl)piperidin-3-yl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[(3R,4R)-4-hydroxy-1-(2-morpholin-4-ylethyl)piperidin-3-yl]benzamide
PubChem CID154815880
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name3-(dimethylamino)-N-[(3R,4R)-4-hydroxy-1-(2-morpholin-4-ylethyl)piperidin-3-yl]benzamide
SMILESCN(C)c1cccc(C(=O)N[C@@H]2CN(CCN3CCOCC3)CC[C@H]2O)c1
InChIInChI=1S/C20H32N4O3/c1-22(2)17-5-3-4-16(14-17)20(26)21-18-15-24(7-6-19(18)25)9-8-23-10-12-27-13-11-23/h3-5,14,18-19,25H,6-13,15H2,1-2H3,(H,21,26)/t18-,19-/m1/s1
InChIKeyRGXWQDSWYIMFDV-RTBURBONSA-N
XLogP0.25
TPSA68.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(dimethylamino)-N-[(3R,4R)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]benzamide
CID 96551104
4-[[3-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid
CID 66220726
3-(dimethylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47375158
3-[3-(dimethylamino)phenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 118768379
2-[[3-(dimethylamino)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 64814509
3-(dimethylamino)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55960952
3-(dimethylamino)-N-(2,4-dimorpholin-4-ylphenyl)benzamide
CID 26072175
3-(dimethylamino)-N-[2-(3-oxomorpholin-4-yl)ethyl]benzamide
CID 110743626
3-(dimethylamino)-N-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]benzamide
CID 95968799
N-[3-(dimethylamino)phenyl]-2-morpholin-4-ylacetamide
CID 110483400
3-(dimethylamino)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzamide
CID 94200759
3-(dimethylamino)-N-(oxolan-3-ylmethyl)benzamide
CID 47179453

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[(3R,4R)-4-hydroxy-1-(2-morpholin-4-ylethyl)piperidin-3-yl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[(3R,4R)-4-hydroxy-1-(2-morpholin-4-ylethyl)piperidin-3-yl]benzamide (CID 154815880) is 3-(dimethylamino)-N-[(3R,4R)-4-hydroxy-1-(2-morpholin-4-ylethyl)piperidin-3-yl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[(3R,4R)-4-hydroxy-1-(2-morpholin-4-ylethyl)piperidin-3-yl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[(3R,4R)-4-hydroxy-1-(2-morpholin-4-ylethyl)piperidin-3-yl]benzamide is CN(C)c1cccc(C(=O)N[C@@H]2CN(CCN3CCOCC3)CC[C@H]2O)c1.
What is the InChIKey of 3-(dimethylamino)-N-[(3R,4R)-4-hydroxy-1-(2-morpholin-4-ylethyl)piperidin-3-yl]benzamide?
The InChIKey is RGXWQDSWYIMFDV-RTBURBONSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-22(2)17-5-3-4-16(14-17)20(26)21-18-15-24(7-6-19(18)25)9-8-23-10-12-27-13-11-23/h3-5,14,18-19,25H,6-13,15H2,1-2H3,(H,21,26)/t18-,19-/m1/s1.
What are the key properties of 3-(dimethylamino)-N-[(3R,4R)-4-hydroxy-1-(2-morpholin-4-ylethyl)piperidin-3-yl]benzamide?
3-(dimethylamino)-N-[(3R,4R)-4-hydroxy-1-(2-morpholin-4-ylethyl)piperidin-3-yl]benzamide has a molecular weight of 376.50 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[(3R,4R)-4-hydroxy-1-(2-morpholin-4-ylethyl)piperidin-3-yl]benzamide is sourced from PubChem (CID 154815880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).