1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenoxyethanone

C19H26N2O3 — CID 110285901

IUPAC1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenoxyethanone
SMILESCC1CCN(C(=O)[C@@H]2CCCN2C(=O)COc2ccccc2)CC1
InChIInChI=1S/C19H26N2O3/c1-15-9-12-20(13-10-15)19(23)17-8-5-11-21(17)18(22)14-24-16-6-3-2-4-7-16/h2-4,6-7,15,17H,5,8-14H2,1H3/t17-/m0/s1
InChIKeyOCPLGNGICOFIRT-KRWDZBQOSA-N
MW330.43 g/mol
LogP2.31
Rot. Bonds4

About 1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenoxyethanone

1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenoxyethanone (PubChem CID 110285901) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenoxyethanone
PubChem CID110285901
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenoxyethanone
SMILESCC1CCN(C(=O)[C@@H]2CCCN2C(=O)COc2ccccc2)CC1
InChIInChI=1S/C19H26N2O3/c1-15-9-12-20(13-10-15)19(23)17-8-5-11-21(17)18(22)14-24-16-6-3-2-4-7-16/h2-4,6-7,15,17H,5,8-14H2,1H3/t17-/m0/s1
InChIKeyOCPLGNGICOFIRT-KRWDZBQOSA-N
XLogP2.31
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenoxy)-1-[(2S)-1-[(2R)-1-(2-phenoxyacetyl)pyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone
CID 67771461
benzyl 2-(4-methylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 3556516
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
1-(2-fluorophenyl)-4-[2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]butane-1,4-dione
CID 110625753
1-[2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 42702614
1-(3-methoxyphenyl)-4-[2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]butane-1,4-dione
CID 110625756
1-(2-cyclopropylpyrrolidin-1-yl)-2-phenoxyethanone
CID 110871787
(2R)-1-[2-(4-phenylmethoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 119370502
[(2S)-1-(2-methylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 110285877
(E)-1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-3-phenylbut-2-en-1-one
CID 110305827
(2R)-1-[2-(3-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 39165023
1-[(2S)-2-[(2S)-2-(2-phenoxyacetyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 70048516

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenoxyethanone (CID 110285901) is 1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenoxyethanone is CC1CCN(C(=O)[C@@H]2CCCN2C(=O)COc2ccccc2)CC1.
What is the InChIKey of 1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenoxyethanone?
The InChIKey is OCPLGNGICOFIRT-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-15-9-12-20(13-10-15)19(23)17-8-5-11-21(17)18(22)14-24-16-6-3-2-4-7-16/h2-4,6-7,15,17H,5,8-14H2,1H3/t17-/m0/s1.
What are the key properties of 1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenoxyethanone?
1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenoxyethanone has a molecular weight of 330.43 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 110285901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).