phenyl 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate

C23H25N3O4 — CID 108568580

IUPACphenyl 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate
SMILESO=C1CC(C(=O)N2CCN(C(=O)Oc3ccccc3)CC2)CN1Cc1ccccc1
InChIInChI=1S/C23H25N3O4/c27-21-15-19(17-26(21)16-18-7-3-1-4-8-18)22(28)24-11-13-25(14-12-24)23(29)30-20-9-5-2-6-10-20/h1-10,19H,11-17H2
InChIKeyJAGNKUSRZAWRED-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.38
Rot. Bonds4

About phenyl 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate

phenyl 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate (PubChem CID 108568580) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is phenyl 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate
PubChem CID108568580
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Namephenyl 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate
SMILESO=C1CC(C(=O)N2CCN(C(=O)Oc3ccccc3)CC2)CN1Cc1ccccc1
InChIInChI=1S/C23H25N3O4/c27-21-15-19(17-26(21)16-18-7-3-1-4-8-18)22(28)24-11-13-25(14-12-24)23(29)30-20-9-5-2-6-10-20/h1-10,19H,11-17H2
InChIKeyJAGNKUSRZAWRED-UHFFFAOYSA-N
XLogP2.38
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 29127771
4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 56807347
1-benzyl-4-[4-(3-phenoxypropanoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 108546298
(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-benzylpyrrolidin-2-one
CID 27509800
1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119561502
1-benzyl-4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 42997864
1-benzyl-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 78858914
3-[4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)-1,4-diazepan-1-yl]-3-oxopropanenitrile
CID 108543326
1-benzyl-4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119623169
(4R)-4-(4-benzylpiperazine-1-carbonyl)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one
CID 25362673
1-benzyl-4-[4-(4-ethoxybenzoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 108545946
(4R)-1-[(4-methylphenyl)methyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 7892722

Frequently Asked Questions

What is the IUPAC name of phenyl 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate?
The IUPAC name of phenyl 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate (CID 108568580) is phenyl 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for phenyl 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for phenyl 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate is O=C1CC(C(=O)N2CCN(C(=O)Oc3ccccc3)CC2)CN1Cc1ccccc1.
What is the InChIKey of phenyl 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate?
The InChIKey is JAGNKUSRZAWRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c27-21-15-19(17-26(21)16-18-7-3-1-4-8-18)22(28)24-11-13-25(14-12-24)23(29)30-20-9-5-2-6-10-20/h1-10,19H,11-17H2.
What are the key properties of phenyl 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate?
phenyl 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate has a molecular weight of 407.47 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 108568580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).