3,4-dimethyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide

C20H31N3O2 — CID 112505026

IUPAC3,4-dimethyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
SMILESCc1ccc(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)cc1C
InChIInChI=1S/C20H31N3O2/c1-16-4-5-18(14-17(16)2)19(24)21-15-20(6-8-22(3)9-7-20)23-10-12-25-13-11-23/h4-5,14H,6-13,15H2,1-3H3,(H,21,24)
InChIKeyFNPCGCBIXDYSML-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.83
Rot. Bonds4

About 3,4-dimethyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide

3,4-dimethyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide (PubChem CID 112505026) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
PubChem CID112505026
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name3,4-dimethyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
SMILESCc1ccc(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)cc1C
InChIInChI=1S/C20H31N3O2/c1-16-4-5-18(14-17(16)2)19(24)21-15-20(6-8-22(3)9-7-20)23-10-12-25-13-11-23/h4-5,14H,6-13,15H2,1-3H3,(H,21,24)
InChIKeyFNPCGCBIXDYSML-UHFFFAOYSA-N
XLogP1.83
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505028
3-fluoro-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505015
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2559826
2-(3,4-dimethoxyphenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]acetamide
CID 112505047
3-fluoro-4-methoxy-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139028774
2-(4-chlorophenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]acetamide
CID 112505032
3,4-diethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 35762390
3-methoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide
CID 125420203
N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110622690
3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide
CID 71616252
3-fluoro-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139028737
(E)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbut-2-enamide
CID 110303397

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide (CID 112505026) is 3,4-dimethyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide is Cc1ccc(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide?
The InChIKey is FNPCGCBIXDYSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-16-4-5-18(14-17(16)2)19(24)21-15-20(6-8-22(3)9-7-20)23-10-12-25-13-11-23/h4-5,14H,6-13,15H2,1-3H3,(H,21,24).
What are the key properties of 3,4-dimethyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide?
3,4-dimethyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide has a molecular weight of 345.49 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 112505026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).