4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-piperidin-4-yl-N-propylbenzamide

C22H35N3O2 — CID 124682981

IUPAC4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-piperidin-4-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)C1CCNCC1
InChIInChI=1S/C22H35N3O2/c1-4-13-25(21-9-11-23-12-10-21)22(26)20-7-5-19(6-8-20)16-24-14-17(2)27-18(3)15-24/h5-8,17-18,21,23H,4,9-16H2,1-3H3/t17-,18-/m1/s1
InChIKeyZXEULGBUIMKFKE-QZTJIDSGSA-N
MW373.54 g/mol
LogP2.90
Rot. Bonds6

About 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-piperidin-4-yl-N-propylbenzamide

4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-piperidin-4-yl-N-propylbenzamide (PubChem CID 124682981) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-piperidin-4-yl-N-propylbenzamide.

Molecular Properties

Compound Name4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-piperidin-4-yl-N-propylbenzamide
PubChem CID124682981
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-piperidin-4-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)C1CCNCC1
InChIInChI=1S/C22H35N3O2/c1-4-13-25(21-9-11-23-12-10-21)22(26)20-7-5-19(6-8-20)16-24-14-17(2)27-18(3)15-24/h5-8,17-18,21,23H,4,9-16H2,1-3H3/t17-,18-/m1/s1
InChIKeyZXEULGBUIMKFKE-QZTJIDSGSA-N
XLogP2.90
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823008
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-piperidin-4-ylbenzamide
CID 119387921
4-(ethylsulfanylmethyl)-N-piperidin-4-yl-N-propylbenzamide
CID 119824388
4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-methoxy-N-methylbenzamide
CID 171572082
4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992
N-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-phenylbenzamide
CID 55623499
N-piperidin-4-yl-N-propylpyridine-4-carboxamide
CID 54923494
3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-methylamino]propanoic acid
CID 119362913
4-[[methyl(2-methylpropanoyl)amino]methyl]-N-piperidin-4-yl-N-propylbenzamide
CID 119824648
4-[(ethylsulfonylamino)methyl]-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825087
1-benzyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
CID 91645692
5-methyl-N-piperidin-4-yl-N-propylfuran-2-carboxamide
CID 60805408

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-piperidin-4-yl-N-propylbenzamide?
The IUPAC name of 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-piperidin-4-yl-N-propylbenzamide (CID 124682981) is 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-piperidin-4-yl-N-propylbenzamide.
What is the SMILES notation for 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-piperidin-4-yl-N-propylbenzamide?
The canonical SMILES for 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-piperidin-4-yl-N-propylbenzamide is CCCN(C(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)C1CCNCC1.
What is the InChIKey of 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-piperidin-4-yl-N-propylbenzamide?
The InChIKey is ZXEULGBUIMKFKE-QZTJIDSGSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-4-13-25(21-9-11-23-12-10-21)22(26)20-7-5-19(6-8-20)16-24-14-17(2)27-18(3)15-24/h5-8,17-18,21,23H,4,9-16H2,1-3H3/t17-,18-/m1/s1.
What are the key properties of 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-piperidin-4-yl-N-propylbenzamide?
4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-piperidin-4-yl-N-propylbenzamide has a molecular weight of 373.54 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-piperidin-4-yl-N-propylbenzamide is sourced from PubChem (CID 124682981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).