1-(3,4-dimethylphenyl)-5-[3-(pyridin-4-ylmethoxy)pyrrolidine-1-carbonyl]piperidin-2-one

C24H29N3O3 — CID 166187721

IUPAC1-(3,4-dimethylphenyl)-5-[3-(pyridin-4-ylmethoxy)pyrrolidine-1-carbonyl]piperidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCC(OCc4ccncc4)C3)CCC2=O)cc1C
InChIInChI=1S/C24H29N3O3/c1-17-3-5-21(13-18(17)2)27-14-20(4-6-23(27)28)24(29)26-12-9-22(15-26)30-16-19-7-10-25-11-8-19/h3,5,7-8,10-11,13,20,22H,4,6,9,12,14-16H2,1-2H3
InChIKeyJSGDVAUGNWOCDN-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.26
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-5-[3-(pyridin-4-ylmethoxy)pyrrolidine-1-carbonyl]piperidin-2-one

1-(3,4-dimethylphenyl)-5-[3-(pyridin-4-ylmethoxy)pyrrolidine-1-carbonyl]piperidin-2-one (PubChem CID 166187721) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-5-[3-(pyridin-4-ylmethoxy)pyrrolidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-5-[3-(pyridin-4-ylmethoxy)pyrrolidine-1-carbonyl]piperidin-2-one
PubChem CID166187721
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name1-(3,4-dimethylphenyl)-5-[3-(pyridin-4-ylmethoxy)pyrrolidine-1-carbonyl]piperidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCC(OCc4ccncc4)C3)CCC2=O)cc1C
InChIInChI=1S/C24H29N3O3/c1-17-3-5-21(13-18(17)2)27-14-20(4-6-23(27)28)24(29)26-12-9-22(15-26)30-16-19-7-10-25-11-8-19/h3,5,7-8,10-11,13,20,22H,4,6,9,12,14-16H2,1-2H3
InChIKeyJSGDVAUGNWOCDN-UHFFFAOYSA-N
XLogP3.26
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 119105504
1-(3,4-dimethylphenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 90636988
1-(3,4-dimethylphenyl)-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 71798630
[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-[(3S)-3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methanone
CID 99816784
1-(3,4-dimethylphenyl)-4-[3-(triazol-1-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 121150835
(4R)-1-(3,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9392063
1-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 6461557
4-(4-cyclopropylidenepiperidine-1-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 121186906
1-(3,4-dimethylphenyl)-4-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 90627494
(4R)-1-(3,4-dimethylphenyl)-4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9392799
3-[1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 99878226
methyl (3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 804856

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-5-[3-(pyridin-4-ylmethoxy)pyrrolidine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-5-[3-(pyridin-4-ylmethoxy)pyrrolidine-1-carbonyl]piperidin-2-one (CID 166187721) is 1-(3,4-dimethylphenyl)-5-[3-(pyridin-4-ylmethoxy)pyrrolidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-5-[3-(pyridin-4-ylmethoxy)pyrrolidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-5-[3-(pyridin-4-ylmethoxy)pyrrolidine-1-carbonyl]piperidin-2-one is Cc1ccc(N2CC(C(=O)N3CCC(OCc4ccncc4)C3)CCC2=O)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-5-[3-(pyridin-4-ylmethoxy)pyrrolidine-1-carbonyl]piperidin-2-one?
The InChIKey is JSGDVAUGNWOCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-17-3-5-21(13-18(17)2)27-14-20(4-6-23(27)28)24(29)26-12-9-22(15-26)30-16-19-7-10-25-11-8-19/h3,5,7-8,10-11,13,20,22H,4,6,9,12,14-16H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-5-[3-(pyridin-4-ylmethoxy)pyrrolidine-1-carbonyl]piperidin-2-one?
1-(3,4-dimethylphenyl)-5-[3-(pyridin-4-ylmethoxy)pyrrolidine-1-carbonyl]piperidin-2-one has a molecular weight of 407.51 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-5-[3-(pyridin-4-ylmethoxy)pyrrolidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 166187721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).