(4R,5R)-1-butyl-5-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one

C24H36N4O5S — CID 30890050

IUPAC(4R,5R)-1-butyl-5-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCCCN1C(=O)C[C@@H](C(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C24H36N4O5S/c1-3-4-13-28-22(29)18-21(23(28)19-7-9-20(33-2)10-8-19)24(30)25-14-16-27(17-15-25)34(31,32)26-11-5-6-12-26/h7-10,21,23H,3-6,11-18H2,1-2H3/t21-,23+/m1/s1
InChIKeyCVZBIPJEAKIQFQ-GGAORHGYSA-N
MW492.64 g/mol
LogP1.87
Rot. Bonds8

About (4R,5R)-1-butyl-5-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one

(4R,5R)-1-butyl-5-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 30890050) has the molecular formula C24H36N4O5S and a molecular weight of 492.64 g/mol. Its IUPAC name is (4R,5R)-1-butyl-5-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-1-butyl-5-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID30890050
Molecular FormulaC24H36N4O5S
Molecular Weight492.64 g/mol
Exact Mass492.24
IUPAC Name(4R,5R)-1-butyl-5-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCCCN1C(=O)C[C@@H](C(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C24H36N4O5S/c1-3-4-13-28-22(29)18-21(23(28)19-7-9-20(33-2)10-8-19)24(30)25-14-16-27(17-15-25)34(31,32)26-11-5-6-12-26/h7-10,21,23H,3-6,11-18H2,1-2H3/t21-,23+/m1/s1
InChIKeyCVZBIPJEAKIQFQ-GGAORHGYSA-N
XLogP1.87
TPSA90.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.64
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-4-(1,4-diazepane-1-carbonyl)-5-(4-methoxyphenyl)pyrrolidin-2-one
CID 119414839
1-butyl-4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-5-(4-methoxyphenyl)pyrrolidin-2-one
CID 55902291
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-butyl-5-(4-methoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 119409881
(4S,5S)-1-butyl-5-(4-methoxyphenyl)-4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 39951642
1-butyl-4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]-5-(4-methoxyphenyl)pyrrolidin-2-one
CID 55644287
(2S,3R)-1-butyl-2-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 51982983
(2S,3S)-1-butyl-2-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 51982985
(2R,3R)-1-butyl-2-(4-methoxyphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 30476387
1-butyl-N-ethoxy-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43048037
(4S,5S)-4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-butyl-5-(4-methoxyphenyl)pyrrolidin-2-one
CID 30520323
(4S,5R)-4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-butyl-5-(4-methoxyphenyl)pyrrolidin-2-one
CID 30520320
1-butyl-N-ethyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51180359

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-1-butyl-5-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of (4R,5R)-1-butyl-5-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 30890050) is (4R,5R)-1-butyl-5-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (4R,5R)-1-butyl-5-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (4R,5R)-1-butyl-5-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one is CCCCN1C(=O)C[C@@H](C(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)[C@@H]1c1ccc(OC)cc1.
What is the InChIKey of (4R,5R)-1-butyl-5-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is CVZBIPJEAKIQFQ-GGAORHGYSA-N. The full InChI is InChI=1S/C24H36N4O5S/c1-3-4-13-28-22(29)18-21(23(28)19-7-9-20(33-2)10-8-19)24(30)25-14-16-27(17-15-25)34(31,32)26-11-5-6-12-26/h7-10,21,23H,3-6,11-18H2,1-2H3/t21-,23+/m1/s1.
What are the key properties of (4R,5R)-1-butyl-5-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one?
(4R,5R)-1-butyl-5-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 492.64 g/mol, XLogP of 1.87, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-1-butyl-5-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 30890050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).