1,6-dimethyl-3-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one

C22H29N3O5 — CID 46970932

IUPAC1,6-dimethyl-3-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one
SMILESCOc1cc(CN2CCN(C(=O)c3ccc(C)n(C)c3=O)CC2)cc(OC)c1OC
InChIInChI=1S/C22H29N3O5/c1-15-6-7-17(21(26)23(15)2)22(27)25-10-8-24(9-11-25)14-16-12-18(28-3)20(30-5)19(13-16)29-4/h6-7,12-13H,8-11,14H2,1-5H3
InChIKeyPRPCXGWXUUDXTP-UHFFFAOYSA-N
MW415.49 g/mol
LogP1.68
Rot. Bonds6

About 1,6-dimethyl-3-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one

1,6-dimethyl-3-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one (PubChem CID 46970932) has the molecular formula C22H29N3O5 and a molecular weight of 415.49 g/mol. Its IUPAC name is 1,6-dimethyl-3-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1,6-dimethyl-3-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one
PubChem CID46970932
Molecular FormulaC22H29N3O5
Molecular Weight415.49 g/mol
Exact Mass415.21
IUPAC Name1,6-dimethyl-3-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one
SMILESCOc1cc(CN2CCN(C(=O)c3ccc(C)n(C)c3=O)CC2)cc(OC)c1OC
InChIInChI=1S/C22H29N3O5/c1-15-6-7-17(21(26)23(15)2)22(27)25-10-8-24(9-11-25)14-16-12-18(28-3)20(30-5)19(13-16)29-4/h6-7,12-13H,8-11,14H2,1-5H3
InChIKeyPRPCXGWXUUDXTP-UHFFFAOYSA-N
XLogP1.68
TPSA73.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1,6-dimethyl-3-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one with MolForge

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Related Compounds

(1-methoxynaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 14676158
2-chloro-1-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 10759766
(3-fluorophenyl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17366596
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone;oxalic acid
CID 17367991
(5-methoxy-1H-indol-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 67867873
(6-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 46957325
[4-[[4-[[4-[4-(3,4,5-trimethoxyphenyl)benzoyl]piperazin-1-yl]methyl]phenyl]methyl]piperazin-1-yl]-[4-(3,4,5-trimethoxyphenyl)phenyl]methanone
CID 15491077
4-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carbonyl]-1-methylquinolin-2-one
CID 55789518
2-amino-2-methyl-1-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119896241
[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 28754
[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone;oxalic acid
CID 126476745
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1116501

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1,6-dimethyl-3-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one (CID 46970932) is 1,6-dimethyl-3-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1,6-dimethyl-3-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1,6-dimethyl-3-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one is COc1cc(CN2CCN(C(=O)c3ccc(C)n(C)c3=O)CC2)cc(OC)c1OC.
What is the InChIKey of 1,6-dimethyl-3-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one?
The InChIKey is PRPCXGWXUUDXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5/c1-15-6-7-17(21(26)23(15)2)22(27)25-10-8-24(9-11-25)14-16-12-18(28-3)20(30-5)19(13-16)29-4/h6-7,12-13H,8-11,14H2,1-5H3.
What are the key properties of 1,6-dimethyl-3-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one?
1,6-dimethyl-3-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one has a molecular weight of 415.49 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-3-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 46970932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).