(2-hydroxy-5-oxopyrrolidin-1-yl) 4-[(2-methoxy-4-phenylphenyl)methyl]piperazine-1-carboxylate

C23H27N3O5 — CID 123643916

IUPAC(2-hydroxy-5-oxopyrrolidin-1-yl) 4-[(2-methoxy-4-phenylphenyl)methyl]piperazine-1-carboxylate
SMILESCOc1cc(-c2ccccc2)ccc1CN1CCN(C(=O)ON2C(=O)CCC2O)CC1
InChIInChI=1S/C23H27N3O5/c1-30-20-15-18(17-5-3-2-4-6-17)7-8-19(20)16-24-11-13-25(14-12-24)23(29)31-26-21(27)9-10-22(26)28/h2-8,15,21,27H,9-14,16H2,1H3
InChIKeyDUCJOLXKFNXWPR-UHFFFAOYSA-N
MW425.49 g/mol
LogP2.47
Rot. Bonds5

About (2-hydroxy-5-oxopyrrolidin-1-yl) 4-[(2-methoxy-4-phenylphenyl)methyl]piperazine-1-carboxylate

(2-hydroxy-5-oxopyrrolidin-1-yl) 4-[(2-methoxy-4-phenylphenyl)methyl]piperazine-1-carboxylate (PubChem CID 123643916) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is (2-hydroxy-5-oxopyrrolidin-1-yl) 4-[(2-methoxy-4-phenylphenyl)methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Name(2-hydroxy-5-oxopyrrolidin-1-yl) 4-[(2-methoxy-4-phenylphenyl)methyl]piperazine-1-carboxylate
PubChem CID123643916
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC Name(2-hydroxy-5-oxopyrrolidin-1-yl) 4-[(2-methoxy-4-phenylphenyl)methyl]piperazine-1-carboxylate
SMILESCOc1cc(-c2ccccc2)ccc1CN1CCN(C(=O)ON2C(=O)CCC2O)CC1
InChIInChI=1S/C23H27N3O5/c1-30-20-15-18(17-5-3-2-4-6-17)7-8-19(20)16-24-11-13-25(14-12-24)23(29)31-26-21(27)9-10-22(26)28/h2-8,15,21,27H,9-14,16H2,1H3
InChIKeyDUCJOLXKFNXWPR-UHFFFAOYSA-N
XLogP2.47
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 75501255
(3S,4R)-3,4-dihydroxy-1-[(2-methoxy-4-phenylphenyl)methyl]piperidine-4-carboxylic acid
CID 166314997
1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 122036642
N-[3-[4-[(2-methoxy-4-phenylphenyl)methyl]piperazine-1-carbonyl]phenyl]-2-naphthalen-2-ylacetamide
CID 72723897
(2-hydroxycyclopentyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110014493
oxalic acid;(4-phenylphenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 17366111
2-[(1R,2S)-2-hydroxycyclohexyl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 100678175
cyclopentyl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398973
4-[(2-methoxy-4-phenylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509709
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1116488
tert-butyl 4-[[3-(3-methoxy-4-phenylmethoxyphenyl)phenyl]methyl]piperazine-1-carboxylate
CID 171675504
[1-[(2-methoxy-4-phenylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780442

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-oxopyrrolidin-1-yl) 4-[(2-methoxy-4-phenylphenyl)methyl]piperazine-1-carboxylate?
The IUPAC name of (2-hydroxy-5-oxopyrrolidin-1-yl) 4-[(2-methoxy-4-phenylphenyl)methyl]piperazine-1-carboxylate (CID 123643916) is (2-hydroxy-5-oxopyrrolidin-1-yl) 4-[(2-methoxy-4-phenylphenyl)methyl]piperazine-1-carboxylate.
What is the SMILES notation for (2-hydroxy-5-oxopyrrolidin-1-yl) 4-[(2-methoxy-4-phenylphenyl)methyl]piperazine-1-carboxylate?
The canonical SMILES for (2-hydroxy-5-oxopyrrolidin-1-yl) 4-[(2-methoxy-4-phenylphenyl)methyl]piperazine-1-carboxylate is COc1cc(-c2ccccc2)ccc1CN1CCN(C(=O)ON2C(=O)CCC2O)CC1.
What is the InChIKey of (2-hydroxy-5-oxopyrrolidin-1-yl) 4-[(2-methoxy-4-phenylphenyl)methyl]piperazine-1-carboxylate?
The InChIKey is DUCJOLXKFNXWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-30-20-15-18(17-5-3-2-4-6-17)7-8-19(20)16-24-11-13-25(14-12-24)23(29)31-26-21(27)9-10-22(26)28/h2-8,15,21,27H,9-14,16H2,1H3.
What are the key properties of (2-hydroxy-5-oxopyrrolidin-1-yl) 4-[(2-methoxy-4-phenylphenyl)methyl]piperazine-1-carboxylate?
(2-hydroxy-5-oxopyrrolidin-1-yl) 4-[(2-methoxy-4-phenylphenyl)methyl]piperazine-1-carboxylate has a molecular weight of 425.49 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-oxopyrrolidin-1-yl) 4-[(2-methoxy-4-phenylphenyl)methyl]piperazine-1-carboxylate is sourced from PubChem (CID 123643916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).