3,4-dimethyl-N-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide

C21H29N3O4 — CID 38491208

IUPAC3,4-dimethyl-N-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1C
InChIInChI=1S/C21H29N3O4/c1-15-3-4-18(13-16(15)2)20(26)22-14-19(25)23-7-5-17(6-8-23)21(27)24-9-11-28-12-10-24/h3-4,13,17H,5-12,14H2,1-2H3,(H,22,26)
InChIKeyQNBUEDPZZZEICT-UHFFFAOYSA-N
MW387.48 g/mol
LogP1.13
Rot. Bonds4

About 3,4-dimethyl-N-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide

3,4-dimethyl-N-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 38491208) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide
PubChem CID38491208
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name3,4-dimethyl-N-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1C
InChIInChI=1S/C21H29N3O4/c1-15-3-4-18(13-16(15)2)20(26)22-14-19(25)23-7-5-17(6-8-23)21(27)24-9-11-28-12-10-24/h3-4,13,17H,5-12,14H2,1-2H3,(H,22,26)
InChIKeyQNBUEDPZZZEICT-UHFFFAOYSA-N
XLogP1.13
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 42001425
N-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 38491111
3,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708769
4-tert-butyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]benzamide
CID 36802749
N-[2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide
CID 38607876
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dimethylbenzamide
CID 51160837
4-tert-butyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258300
3,4-dimethyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzamide
CID 9254212
4-fluoro-N-[2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 55837955
N-[2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]furan-3-carboxamide
CID 55949190
[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38491417
3,4-dimethyl-N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]benzamide
CID 51163367

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide (CID 38491208) is 3,4-dimethyl-N-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide is Cc1ccc(C(=O)NCC(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is QNBUEDPZZZEICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-15-3-4-18(13-16(15)2)20(26)22-14-19(25)23-7-5-17(6-8-23)21(27)24-9-11-28-12-10-24/h3-4,13,17H,5-12,14H2,1-2H3,(H,22,26).
What are the key properties of 3,4-dimethyl-N-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide?
3,4-dimethyl-N-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 387.48 g/mol, XLogP of 1.13, 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-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 38491208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).