4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one

C22H26N4O3 — CID 113184102

IUPAC4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
SMILESCOc1ccccc1N1CCN(C(=O)C2CC(=O)N(Cc3ccncc3)C2)CC1
InChIInChI=1S/C22H26N4O3/c1-29-20-5-3-2-4-19(20)24-10-12-25(13-11-24)22(28)18-14-21(27)26(16-18)15-17-6-8-23-9-7-17/h2-9,18H,10-16H2,1H3
InChIKeyJWOUSEMECBPFKJ-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.79
Rot. Bonds5

About 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one

4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one (PubChem CID 113184102) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
PubChem CID113184102
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
SMILESCOc1ccccc1N1CCN(C(=O)C2CC(=O)N(Cc3ccncc3)C2)CC1
InChIInChI=1S/C22H26N4O3/c1-29-20-5-3-2-4-19(20)24-10-12-25(13-11-24)22(28)18-14-21(27)26(16-18)15-17-6-8-23-9-7-17/h2-9,18H,10-16H2,1H3
InChIKeyJWOUSEMECBPFKJ-UHFFFAOYSA-N
XLogP1.79
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methoxyphenyl)methyl]-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 24720670
(4S)-4-(4-phenyl-1,4-diazepane-1-carbonyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 97196301
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methoxypropyl)pyrrolidin-2-one
CID 113182538
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 46109895
(4S)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 9145709
(4S)-1-[(2-methoxyphenyl)methyl]-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one
CID 95719078
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 55345738
4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 74233567
(4R)-1-(2-methoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 8713514
(4R)-1-[(4-methylphenyl)methyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 7892722
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-2-one
CID 113192540
(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 37071019

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one (CID 113184102) is 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one is COc1ccccc1N1CCN(C(=O)C2CC(=O)N(Cc3ccncc3)C2)CC1.
What is the InChIKey of 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one?
The InChIKey is JWOUSEMECBPFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-29-20-5-3-2-4-19(20)24-10-12-25(13-11-24)22(28)18-14-21(27)26(16-18)15-17-6-8-23-9-7-17/h2-9,18H,10-16H2,1H3.
What are the key properties of 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one?
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one has a molecular weight of 394.48 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 113184102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).