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

C20H31N3O4 — CID 112505028

IUPAC3,4-dimethoxy-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)cc1OC
InChIInChI=1S/C20H31N3O4/c1-22-8-6-20(7-9-22,23-10-12-27-13-11-23)15-21-19(24)16-4-5-17(25-2)18(14-16)26-3/h4-5,14H,6-13,15H2,1-3H3,(H,21,24)
InChIKeyBEYSJZCEFJOPDG-UHFFFAOYSA-N
MW377.49 g/mol
LogP1.23
Rot. Bonds6

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

3,4-dimethoxy-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide (PubChem CID 112505028) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
PubChem CID112505028
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC Name3,4-dimethoxy-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)cc1OC
InChIInChI=1S/C20H31N3O4/c1-22-8-6-20(7-9-22,23-10-12-27-13-11-23)15-21-19(24)16-4-5-17(25-2)18(14-16)26-3/h4-5,14H,6-13,15H2,1-3H3,(H,21,24)
InChIKeyBEYSJZCEFJOPDG-UHFFFAOYSA-N
XLogP1.23
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]acetamide
CID 112505047
3,4-dimethyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505026
3-fluoro-4-methoxy-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139028774
3-fluoro-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505015
3,4-diethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 35762390
3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-4-phenylmethoxybenzamide
CID 55658528
3-methoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide
CID 125420203
4-butoxy-3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide
CID 71617633
4-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide
CID 39752666
3-(3,4-dimethoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 37259435
3-fluoro-4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 17446987
3,4-dimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449461

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide (CID 112505028) is 3,4-dimethoxy-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide is COc1ccc(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide?
The InChIKey is BEYSJZCEFJOPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4/c1-22-8-6-20(7-9-22,23-10-12-27-13-11-23)15-21-19(24)16-4-5-17(25-2)18(14-16)26-3/h4-5,14H,6-13,15H2,1-3H3,(H,21,24).
What are the key properties of 3,4-dimethoxy-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide?
3,4-dimethoxy-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide has a molecular weight of 377.49 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 112505028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).