1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-morpholin-2-ylethanone

C17H23ClN2O2 — CID 122148242

IUPAC1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-morpholin-2-ylethanone
SMILESO=C(CC1CNCCO1)N1CCCC1Cc1ccccc1Cl
InChIInChI=1S/C17H23ClN2O2/c18-16-6-2-1-4-13(16)10-14-5-3-8-20(14)17(21)11-15-12-19-7-9-22-15/h1-2,4,6,14-15,19H,3,5,7-12H2
InChIKeyUKYBDUHMICNEEU-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.25
Rot. Bonds4

About 1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-morpholin-2-ylethanone

1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-morpholin-2-ylethanone (PubChem CID 122148242) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-morpholin-2-ylethanone.

Molecular Properties

Compound Name1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-morpholin-2-ylethanone
PubChem CID122148242
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-morpholin-2-ylethanone
SMILESO=C(CC1CNCCO1)N1CCCC1Cc1ccccc1Cl
InChIInChI=1S/C17H23ClN2O2/c18-16-6-2-1-4-13(16)10-14-5-3-8-20(14)17(21)11-15-12-19-7-9-22-15/h1-2,4,6,14-15,19H,3,5,7-12H2
InChIKeyUKYBDUHMICNEEU-UHFFFAOYSA-N
XLogP2.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-[(2S)-morpholin-2-yl]methanone
CID 124699248
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-morpholin-2-ylethanone
CID 66428532
1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 119937739
4-amino-1-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butan-1-one
CID 124699273
N-[(2-chlorophenyl)methyl]-N-methyl-2-morpholin-2-ylacetamide
CID 66429544
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-morpholin-2-ylethanone
CID 102726183
1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-morpholin-2-ylethanone
CID 70786895
1-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 124685548
1-(2-morpholin-2-ylacetyl)piperidine-2-carboxamide;hydrochloride
CID 119685230
1-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-3-(1,3-dimethylpyrazol-4-yl)propan-1-one
CID 95350150
3-methyl-1-(2-morpholin-2-ylacetyl)piperidine-2-carboxylic acid
CID 107068760
1-(azepan-1-yl)-2-morpholin-2-ylethanone
CID 66433560

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-morpholin-2-ylethanone?
The IUPAC name of 1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-morpholin-2-ylethanone (CID 122148242) is 1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-morpholin-2-ylethanone.
What is the SMILES notation for 1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-morpholin-2-ylethanone?
The canonical SMILES for 1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-morpholin-2-ylethanone is O=C(CC1CNCCO1)N1CCCC1Cc1ccccc1Cl.
What is the InChIKey of 1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-morpholin-2-ylethanone?
The InChIKey is UKYBDUHMICNEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c18-16-6-2-1-4-13(16)10-14-5-3-8-20(14)17(21)11-15-12-19-7-9-22-15/h1-2,4,6,14-15,19H,3,5,7-12H2.
What are the key properties of 1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-morpholin-2-ylethanone?
1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-morpholin-2-ylethanone has a molecular weight of 322.84 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-morpholin-2-ylethanone is sourced from PubChem (CID 122148242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).