1-methyl-4-[4-(2-phenylethoxy)piperidine-1-carbonyl]pyrrolidin-2-one

C19H26N2O3 — CID 75462351

IUPAC1-methyl-4-[4-(2-phenylethoxy)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCN1CC(C(=O)N2CCC(OCCc3ccccc3)CC2)CC1=O
InChIInChI=1S/C19H26N2O3/c1-20-14-16(13-18(20)22)19(23)21-10-7-17(8-11-21)24-12-9-15-5-3-2-4-6-15/h2-6,16-17H,7-14H2,1H3
InChIKeyWYACJJOQRKWKPX-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.72
Rot. Bonds5

About 1-methyl-4-[4-(2-phenylethoxy)piperidine-1-carbonyl]pyrrolidin-2-one

1-methyl-4-[4-(2-phenylethoxy)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 75462351) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-methyl-4-[4-(2-phenylethoxy)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-4-[4-(2-phenylethoxy)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID75462351
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-methyl-4-[4-(2-phenylethoxy)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCN1CC(C(=O)N2CCC(OCCc3ccccc3)CC2)CC1=O
InChIInChI=1S/C19H26N2O3/c1-20-14-16(13-18(20)22)19(23)21-10-7-17(8-11-21)24-12-9-15-5-3-2-4-6-15/h2-6,16-17H,7-14H2,1H3
InChIKeyWYACJJOQRKWKPX-UHFFFAOYSA-N
XLogP1.72
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-1-methyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 94092841
(4S)-1-methyl-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 97104979
1-methyl-4-(4-quinoxalin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 90560043
(4S)-4-(4-benzyl-1,4-diazepane-1-carbonyl)-1-methylpyrrolidin-2-one
CID 94092803
1-(3-phenylpropyl)-5-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one
CID 45179360
1-methyl-4-(2-phenylethoxy)piperidine
CID 18722996
[(2R,4R)-4-hydroxypyrrolidin-2-yl]-[4-(2-phenylethoxy)piperidin-1-yl]methanone
CID 125154106
(2S)-2-amino-1-[4-(2-phenylethoxy)piperidin-1-yl]propan-1-one
CID 119299189
1-methyl-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]piperidin-2-one
CID 146123827
4-(4-phenylpiperazine-1-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one
CID 113185297
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[4-(2-phenylethoxy)piperidin-1-yl]methanone
CID 119299187
2-(methylamino)-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone
CID 119815560

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(2-phenylethoxy)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-methyl-4-[4-(2-phenylethoxy)piperidine-1-carbonyl]pyrrolidin-2-one (CID 75462351) is 1-methyl-4-[4-(2-phenylethoxy)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-4-[4-(2-phenylethoxy)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-4-[4-(2-phenylethoxy)piperidine-1-carbonyl]pyrrolidin-2-one is CN1CC(C(=O)N2CCC(OCCc3ccccc3)CC2)CC1=O.
What is the InChIKey of 1-methyl-4-[4-(2-phenylethoxy)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is WYACJJOQRKWKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-20-14-16(13-18(20)22)19(23)21-10-7-17(8-11-21)24-12-9-15-5-3-2-4-6-15/h2-6,16-17H,7-14H2,1H3.
What are the key properties of 1-methyl-4-[4-(2-phenylethoxy)piperidine-1-carbonyl]pyrrolidin-2-one?
1-methyl-4-[4-(2-phenylethoxy)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 330.43 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(2-phenylethoxy)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 75462351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).