1-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxamide

C24H32N4O5 — CID 42534317

IUPAC1-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxamide
SMILESCOc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)CC2=O)cc1
InChIInChI=1S/C24H32N4O5/c1-33-20-4-2-19(3-5-20)28-15-18(14-21(28)29)24(32)27-12-8-17(9-13-27)23(31)26-10-6-16(7-11-26)22(25)30/h2-5,16-18H,6-15H2,1H3,(H2,25,30)/t18-/m0/s1
InChIKeyHDVFXXBFMSHOHZ-SFHVURJKSA-N
MW456.54 g/mol
LogP1.01
Rot. Bonds5

About 1-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxamide

1-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxamide (PubChem CID 42534317) has the molecular formula C24H32N4O5 and a molecular weight of 456.54 g/mol. Its IUPAC name is 1-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxamide
PubChem CID42534317
Molecular FormulaC24H32N4O5
Molecular Weight456.54 g/mol
Exact Mass456.24
IUPAC Name1-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxamide
SMILESCOc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)CC2=O)cc1
InChIInChI=1S/C24H32N4O5/c1-33-20-4-2-19(3-5-20)28-15-18(14-21(28)29)24(32)27-12-8-17(9-13-27)23(31)26-10-6-16(7-11-26)22(25)30/h2-5,16-18H,6-15H2,1H3,(H2,25,30)/t18-/m0/s1
InChIKeyHDVFXXBFMSHOHZ-SFHVURJKSA-N
XLogP1.01
TPSA113.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 9388657
(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704642
1-(4-methoxyphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119563790
1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497629
(4S)-1-(4-methoxyphenyl)-4-[4-(3-methylbut-2-enoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 29134485
1-(4-methoxyphenyl)-4-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 90558754
1-(4-methoxyphenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 42650428
1-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxamide
CID 42655508
ethyl 2-[4-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-oxoacetate
CID 29127383
(4S)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 40822839
propyl 4-[4-(4-carbamoylpiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzoate
CID 42654543
1-(4-methoxyphenyl)-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carbonyl]pyrrolidin-2-one
CID 90566419

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxamide (CID 42534317) is 1-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxamide is COc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)CC2=O)cc1.
What is the InChIKey of 1-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxamide?
The InChIKey is HDVFXXBFMSHOHZ-SFHVURJKSA-N. The full InChI is InChI=1S/C24H32N4O5/c1-33-20-4-2-19(3-5-20)28-15-18(14-21(28)29)24(32)27-12-8-17(9-13-27)23(31)26-10-6-16(7-11-26)22(25)30/h2-5,16-18H,6-15H2,1H3,(H2,25,30)/t18-/m0/s1.
What are the key properties of 1-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxamide?
1-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxamide has a molecular weight of 456.54 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 42534317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).