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

C19H29N3O2 — CID 119387921

IUPAC4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-piperidin-4-ylbenzamide
SMILESCC1CN(Cc2ccc(C(=O)NC3CCNCC3)cc2)CC(C)O1
InChIInChI=1S/C19H29N3O2/c1-14-11-22(12-15(2)24-14)13-16-3-5-17(6-4-16)19(23)21-18-7-9-20-10-8-18/h3-6,14-15,18,20H,7-13H2,1-2H3,(H,21,23)
InChIKeyNGADFEZIIUCSPP-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.78
Rot. Bonds4

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

4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-piperidin-4-ylbenzamide (PubChem CID 119387921) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-piperidin-4-ylbenzamide
PubChem CID119387921
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-piperidin-4-ylbenzamide
SMILESCC1CN(Cc2ccc(C(=O)NC3CCNCC3)cc2)CC(C)O1
InChIInChI=1S/C19H29N3O2/c1-14-11-22(12-15(2)24-14)13-16-3-5-17(6-4-16)19(23)21-18-7-9-20-10-8-18/h3-6,14-15,18,20H,7-13H2,1-2H3,(H,21,23)
InChIKeyNGADFEZIIUCSPP-UHFFFAOYSA-N
XLogP1.78
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride
CID 120600958
N-[4-(cyclopropylcarbamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 46404639
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-piperidin-3-ylethyl)benzamide
CID 119557065
N-(dicyclopropylmethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 47027087
4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-piperidin-4-yl-N-propylbenzamide
CID 124682981
4-(aminomethyl)-N-piperidin-4-ylbenzamide
CID 110463043
4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689710
(2S)-2-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]amino]-2-phenylacetic acid
CID 124690072
[2-(cyclooctylamino)-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate
CID 55737534
(2S)-2-[[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]amino]-3-methylbutanoic acid
CID 124682570
N-(1-amino-4-methylpentan-2-yl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 119586982
(2S,3S)-2-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]amino]-3-methylpentanoic acid
CID 124684005

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-piperidin-4-ylbenzamide?
The IUPAC name of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-piperidin-4-ylbenzamide (CID 119387921) is 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-piperidin-4-ylbenzamide?
The canonical SMILES for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-piperidin-4-ylbenzamide is CC1CN(Cc2ccc(C(=O)NC3CCNCC3)cc2)CC(C)O1.
What is the InChIKey of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-piperidin-4-ylbenzamide?
The InChIKey is NGADFEZIIUCSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14-11-22(12-15(2)24-14)13-16-3-5-17(6-4-16)19(23)21-18-7-9-20-10-8-18/h3-6,14-15,18,20H,7-13H2,1-2H3,(H,21,23).
What are the key properties of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-piperidin-4-ylbenzamide?
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-piperidin-4-ylbenzamide has a molecular weight of 331.46 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 119387921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).