1-[4-[1-benzoyl-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone

C25H30N2O3 — CID 171143563

IUPAC1-[4-[1-benzoyl-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C2CN(C(=O)c3ccccc3)CC2COc2ccccc2)CC1
InChIInChI=1S/C25H30N2O3/c1-19(28)26-14-12-20(13-15-26)24-17-27(25(29)21-8-4-2-5-9-21)16-22(24)18-30-23-10-6-3-7-11-23/h2-11,20,22,24H,12-18H2,1H3
InChIKeyLBENBIDGFPBPSE-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.71
Rot. Bonds5

About 1-[4-[1-benzoyl-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone

1-[4-[1-benzoyl-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone (PubChem CID 171143563) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-[4-[1-benzoyl-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-benzoyl-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone
PubChem CID171143563
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name1-[4-[1-benzoyl-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C2CN(C(=O)c3ccccc3)CC2COc2ccccc2)CC1
InChIInChI=1S/C25H30N2O3/c1-19(28)26-14-12-20(13-15-26)24-17-27(25(29)21-8-4-2-5-9-21)16-22(24)18-30-23-10-6-3-7-11-23/h2-11,20,22,24H,12-18H2,1H3
InChIKeyLBENBIDGFPBPSE-UHFFFAOYSA-N
XLogP3.71
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[1-(oxane-4-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethanone
CID 171143517
1-[3-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethanone
CID 171143518
[4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638786
1-(3-methoxybenzoyl)-4-(phenoxymethyl)pyrrolidine-3-carboxamide
CID 156611450
(3R,4R)-4-cyclopropyl-1-[4-(cyclopropylmethoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 120979260
1-[4-(2-phenoxyethyl)piperidin-1-yl]ethanone
CID 53150715
[(3R,3aS,6aS)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-phenylmethanone
CID 131680699
[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-phenylmethanone
CID 15855718
[(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone
CID 95097695
1-[4-(2-phenoxyethoxy)piperidin-1-yl]ethanone
CID 91918409
1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone
CID 78777666
(3R)-1-[4-(phenoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 125135118

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-benzoyl-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[1-benzoyl-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone (CID 171143563) is 1-[4-[1-benzoyl-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[1-benzoyl-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[1-benzoyl-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C2CN(C(=O)c3ccccc3)CC2COc2ccccc2)CC1.
What is the InChIKey of 1-[4-[1-benzoyl-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone?
The InChIKey is LBENBIDGFPBPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-19(28)26-14-12-20(13-15-26)24-17-27(25(29)21-8-4-2-5-9-21)16-22(24)18-30-23-10-6-3-7-11-23/h2-11,20,22,24H,12-18H2,1H3.
What are the key properties of 1-[4-[1-benzoyl-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone?
1-[4-[1-benzoyl-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone has a molecular weight of 406.53 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-benzoyl-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 171143563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).