(3R)-1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide

C24H29N5O4 — CID 39038553

IUPAC(3R)-1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@H](C(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)CC2=O)cc1
InChIInChI=1S/C24H29N5O4/c1-33-20-7-5-19(6-8-20)29-17-18(16-23(29)31)24(32)26-11-9-22(30)28-14-12-27(13-15-28)21-4-2-3-10-25-21/h2-8,10,18H,9,11-17H2,1H3,(H,26,32)/t18-/m1/s1
InChIKeyBMKAJPODVTVYQS-GOSISDBHSA-N
MW451.53 g/mol
LogP1.30
Rot. Bonds7

About (3R)-1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide

(3R)-1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide (PubChem CID 39038553) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is (3R)-1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide
PubChem CID39038553
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC Name(3R)-1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@H](C(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)CC2=O)cc1
InChIInChI=1S/C24H29N5O4/c1-33-20-7-5-19(6-8-20)29-17-18(16-23(29)31)24(32)26-11-9-22(30)28-14-12-27(13-15-28)21-4-2-3-10-25-21/h2-8,10,18H,9,11-17H2,1H3,(H,26,32)/t18-/m1/s1
InChIKeyBMKAJPODVTVYQS-GOSISDBHSA-N
XLogP1.30
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxamide
CID 42655508
(3R)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39349857
N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785674
(3R)-1-(4-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 39338037
N-(2-aminoethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42652621
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]guanidine
CID 111182746
N-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42654409
1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrrolidine-3-carboxamide
CID 42654766
(3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]pyrrolidine-3-carboxamide
CID 40775783
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408
N-(3-aminopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785660

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide (CID 39038553) is (3R)-1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide is COc1ccc(N2C[C@H](C(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)CC2=O)cc1.
What is the InChIKey of (3R)-1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide?
The InChIKey is BMKAJPODVTVYQS-GOSISDBHSA-N. The full InChI is InChI=1S/C24H29N5O4/c1-33-20-7-5-19(6-8-20)29-17-18(16-23(29)31)24(32)26-11-9-22(30)28-14-12-27(13-15-28)21-4-2-3-10-25-21/h2-8,10,18H,9,11-17H2,1H3,(H,26,32)/t18-/m1/s1.
What are the key properties of (3R)-1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide?
(3R)-1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 39038553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).