(3R,6S)-3-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione

C23H28N2O5 — CID 11047909

IUPAC(3R,6S)-3-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESCOc1ccc(CN2C(=O)[C@H](C(C)C)N(Cc3ccc(OC)cc3)C(=O)[C@H]2O)cc1
InChIInChI=1S/C23H28N2O5/c1-15(2)20-21(26)25(14-17-7-11-19(30-4)12-8-17)23(28)22(27)24(20)13-16-5-9-18(29-3)10-6-16/h5-12,15,20,23,28H,13-14H2,1-4H3/t20-,23+/m0/s1
InChIKeyRHMPSZCZWPGURT-NZQKXSOJSA-N
MW412.49 g/mol
LogP2.42
Rot. Bonds7

About (3R,6S)-3-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione

(3R,6S)-3-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 11047909) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is (3R,6S)-3-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3R,6S)-3-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
PubChem CID11047909
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name(3R,6S)-3-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESCOc1ccc(CN2C(=O)[C@H](C(C)C)N(Cc3ccc(OC)cc3)C(=O)[C@H]2O)cc1
InChIInChI=1S/C23H28N2O5/c1-15(2)20-21(26)25(14-17-7-11-19(30-4)12-8-17)23(28)22(27)24(20)13-16-5-9-18(29-3)10-6-16/h5-12,15,20,23,28H,13-14H2,1-4H3/t20-,23+/m0/s1
InChIKeyRHMPSZCZWPGURT-NZQKXSOJSA-N
XLogP2.42
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,6S)-3-ethyl-1,4-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 15830795
(6S)-1,4-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpiperazine-2,3,5-trione
CID 11825743
(2S)-6-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-2-propan-2-yl-2H-pyrazin-3-one
CID 101213278
(2S)-6-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-5-methyl-2-propan-2-yl-2H-pyrazin-3-one
CID 16725973
(6S)-4,7-bis[(4-methoxyphenyl)methyl]-6-propan-2-yl-4,7-diazaspiro[2.5]octane-5,8-dione
CID 11133627
(5S)-6-methoxy-4-[(4-methoxyphenyl)methyl]-5-propan-2-yl-2,5-dihydropyrazin-3-one
CID 16725898
(3S)-6-hydroxy-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-one
CID 139805560
(3S)-4-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1,3-dihydroquinoxalin-2-one
CID 141170214
(5R)-5-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 124629774
(3S)-3-[(1R)-1-hydroxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 54758410
(1S,4R,6S,9R,11S,14R)-2,7,12-tris[(4-methoxyphenyl)methyl]-2,7,12-triazaheptacyclo[12.6.1.04,19.06,18.09,17.011,16.015,20]henicosa-15,17,19-triene-3,8,13-trione
CID 56965843
5,11,17-tris[(4-methoxyphenyl)methyl]-5,11,17-triazaheptacyclo[14.2.1.14,7.110,13.02,15.03,8.09,14]henicosa-2,8,14-triene-6,12,18-trione
CID 75233524

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-3-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of (3R,6S)-3-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione (CID 11047909) is (3R,6S)-3-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for (3R,6S)-3-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for (3R,6S)-3-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione is COc1ccc(CN2C(=O)[C@H](C(C)C)N(Cc3ccc(OC)cc3)C(=O)[C@H]2O)cc1.
What is the InChIKey of (3R,6S)-3-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is RHMPSZCZWPGURT-NZQKXSOJSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-15(2)20-21(26)25(14-17-7-11-19(30-4)12-8-17)23(28)22(27)24(20)13-16-5-9-18(29-3)10-6-16/h5-12,15,20,23,28H,13-14H2,1-4H3/t20-,23+/m0/s1.
What are the key properties of (3R,6S)-3-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
(3R,6S)-3-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 412.49 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-3-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 11047909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).