1,4-bis[(4-methoxyphenyl)methyl]-3-methylidenepiperazine-2,5-dione

C21H22N2O4 — CID 91314471

IUPAC1,4-bis[(4-methoxyphenyl)methyl]-3-methylidenepiperazine-2,5-dione
SMILESC=C1C(=O)N(Cc2ccc(OC)cc2)CC(=O)N1Cc1ccc(OC)cc1
InChIInChI=1S/C21H22N2O4/c1-15-21(25)22(12-16-4-8-18(26-2)9-5-16)14-20(24)23(15)13-17-6-10-19(27-3)11-7-17/h4-11H,1,12-14H2,2-3H3
InChIKeyBPPKXVWOWMAUAH-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.59
Rot. Bonds6

About 1,4-bis[(4-methoxyphenyl)methyl]-3-methylidenepiperazine-2,5-dione

1,4-bis[(4-methoxyphenyl)methyl]-3-methylidenepiperazine-2,5-dione (PubChem CID 91314471) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1,4-bis[(4-methoxyphenyl)methyl]-3-methylidenepiperazine-2,5-dione.

Molecular Properties

Compound Name1,4-bis[(4-methoxyphenyl)methyl]-3-methylidenepiperazine-2,5-dione
PubChem CID91314471
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name1,4-bis[(4-methoxyphenyl)methyl]-3-methylidenepiperazine-2,5-dione
SMILESC=C1C(=O)N(Cc2ccc(OC)cc2)CC(=O)N1Cc1ccc(OC)cc1
InChIInChI=1S/C21H22N2O4/c1-15-21(25)22(12-16-4-8-18(26-2)9-5-16)14-20(24)23(15)13-17-6-10-19(27-3)11-7-17/h4-11H,1,12-14H2,2-3H3
InChIKeyBPPKXVWOWMAUAH-UHFFFAOYSA-N
XLogP2.59
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3,10,17,24-tetrakis[(4-methoxyphenyl)methyl]-3,10,17,24-tetrazapentacyclo[24.2.2.25,8.212,15.219,22]hexatriaconta-1(29),5,7,12,14,19(32),20,22(31),26(30),27,33,35-dodecaene-2,9,16,23-tetrone
CID 132575390
3-butyl-1-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 71375150
3,4-dibromo-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 10761993
3-fluoro-1-[(4-methoxyphenyl)methyl]-2,5-dihydropyridin-6-one
CID 132544265
2-[2-[(4-methoxyphenyl)methyl]-3-oxo-1H-isoindol-5-yl]acetic acid
CID 174188826
7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]-1H-pyrrolo[3,4-c]pyridin-3-one
CID 177261613
3-methoxy-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 11687421
(3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 15896261
ethyl 6-hydroxy-4-[(4-methoxyphenyl)methyl]-3-oxo-1,4-diazepane-1-carboxylate
CID 118738613
6-fluoro-7-iodo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one
CID 130430905
2-chloro-6-[(4-methoxyphenyl)methyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 129071703
9-methoxy-4-[(4-methoxyphenyl)methyl]-5H-[1,4]oxazepino[7,6-b]quinolin-3-one
CID 95806899

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(4-methoxyphenyl)methyl]-3-methylidenepiperazine-2,5-dione?
The IUPAC name of 1,4-bis[(4-methoxyphenyl)methyl]-3-methylidenepiperazine-2,5-dione (CID 91314471) is 1,4-bis[(4-methoxyphenyl)methyl]-3-methylidenepiperazine-2,5-dione.
What is the SMILES notation for 1,4-bis[(4-methoxyphenyl)methyl]-3-methylidenepiperazine-2,5-dione?
The canonical SMILES for 1,4-bis[(4-methoxyphenyl)methyl]-3-methylidenepiperazine-2,5-dione is C=C1C(=O)N(Cc2ccc(OC)cc2)CC(=O)N1Cc1ccc(OC)cc1.
What is the InChIKey of 1,4-bis[(4-methoxyphenyl)methyl]-3-methylidenepiperazine-2,5-dione?
The InChIKey is BPPKXVWOWMAUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-15-21(25)22(12-16-4-8-18(26-2)9-5-16)14-20(24)23(15)13-17-6-10-19(27-3)11-7-17/h4-11H,1,12-14H2,2-3H3.
What are the key properties of 1,4-bis[(4-methoxyphenyl)methyl]-3-methylidenepiperazine-2,5-dione?
1,4-bis[(4-methoxyphenyl)methyl]-3-methylidenepiperazine-2,5-dione has a molecular weight of 366.42 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(4-methoxyphenyl)methyl]-3-methylidenepiperazine-2,5-dione is sourced from PubChem (CID 91314471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).