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

C24H28N2O3 — CID 134041883

IUPAC[1-[4-(phenoxymethyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(COc2ccccc2)cc1)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C24H28N2O3/c27-23(26-16-12-21(13-17-26)24(28)25-14-4-5-15-25)20-10-8-19(9-11-20)18-29-22-6-2-1-3-7-22/h1-3,6-11,21H,4-5,12-18H2
InChIKeyRHKAVZMCVIXXEV-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.74
Rot. Bonds5

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

[1-[4-(phenoxymethyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 134041883) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is [1-[4-(phenoxymethyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[4-(phenoxymethyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID134041883
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name[1-[4-(phenoxymethyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(COc2ccccc2)cc1)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C24H28N2O3/c27-23(26-16-12-21(13-17-26)24(28)25-14-4-5-15-25)20-10-8-19(9-11-20)18-29-22-6-2-1-3-7-22/h1-3,6-11,21H,4-5,12-18H2
InChIKeyRHKAVZMCVIXXEV-UHFFFAOYSA-N
XLogP3.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[4-(phenoxymethyl)phenyl]methanone
CID 55334830
(3R)-1-[4-(phenoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 125135118
azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376
azepan-1-yl-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]methanone
CID 134029877
2-[methyl-[1-[4-(phenoxymethyl)benzoyl]azepan-4-yl]amino]acetic acid
CID 129008282
[3-(methylamino)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
CID 119490079
[4-[[4-(hydroxymethyl)phenoxy]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 110884966
[4-(ethylaminomethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119645905
(4-ethyl-1,4-diazepan-1-yl)-[4-(phenoxymethyl)phenyl]methanone
CID 134813184
(2-ethylpiperidin-1-yl)-[4-(phenoxymethyl)phenyl]methanone
CID 55334521
[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 3493340
N-(4-phenylmethoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54833960

Frequently Asked Questions

What is the IUPAC name of [1-[4-(phenoxymethyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[4-(phenoxymethyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 134041883) is [1-[4-(phenoxymethyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[4-(phenoxymethyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[4-(phenoxymethyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(COc2ccccc2)cc1)N1CCC(C(=O)N2CCCC2)CC1.
What is the InChIKey of [1-[4-(phenoxymethyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is RHKAVZMCVIXXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c27-23(26-16-12-21(13-17-26)24(28)25-14-4-5-15-25)20-10-8-19(9-11-20)18-29-22-6-2-1-3-7-22/h1-3,6-11,21H,4-5,12-18H2.
What are the key properties of [1-[4-(phenoxymethyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-[4-(phenoxymethyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 392.50 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(phenoxymethyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 134041883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).