(3-benzyl-2-methylpyrrolidin-1-yl)-morpholin-3-ylmethanone

C17H24N2O2 — CID 119806905

IUPAC(3-benzyl-2-methylpyrrolidin-1-yl)-morpholin-3-ylmethanone
SMILESCC1C(Cc2ccccc2)CCN1C(=O)C1COCCN1
InChIInChI=1S/C17H24N2O2/c1-13-15(11-14-5-3-2-4-6-14)7-9-19(13)17(20)16-12-21-10-8-18-16/h2-6,13,15-16,18H,7-12H2,1H3
InChIKeyHKECLVQLWRBCBA-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.45
Rot. Bonds3

About (3-benzyl-2-methylpyrrolidin-1-yl)-morpholin-3-ylmethanone

(3-benzyl-2-methylpyrrolidin-1-yl)-morpholin-3-ylmethanone (PubChem CID 119806905) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (3-benzyl-2-methylpyrrolidin-1-yl)-morpholin-3-ylmethanone.

Molecular Properties

Compound Name(3-benzyl-2-methylpyrrolidin-1-yl)-morpholin-3-ylmethanone
PubChem CID119806905
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(3-benzyl-2-methylpyrrolidin-1-yl)-morpholin-3-ylmethanone
SMILESCC1C(Cc2ccccc2)CCN1C(=O)C1COCCN1
InChIInChI=1S/C17H24N2O2/c1-13-15(11-14-5-3-2-4-6-14)7-9-19(13)17(20)16-12-21-10-8-18-16/h2-6,13,15-16,18H,7-12H2,1H3
InChIKeyHKECLVQLWRBCBA-UHFFFAOYSA-N
XLogP1.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-benzylpyrrolidin-1-yl)-morpholin-3-ylmethanone
CID 119725012
[(2R,3R)-3-benzyl-2-methylpyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 125134096
[(4S,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[(3R)-morpholin-3-yl]methanone
CID 143724846
2-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxylic acid
CID 106742878
morpholin-3-yl-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride
CID 119697027
(4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl)-[(3R)-morpholin-3-yl]methanone
CID 57445839
[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride
CID 119878565
(2S)-2-amino-1-[(2R,3S)-3-benzyl-2-methylpyrrolidin-1-yl]-3-methylbutan-1-one
CID 125134108
[(2R)-2-methylpiperidin-1-yl]-[(3S)-morpholin-3-yl]methanone
CID 96998627
N-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-3-carboxamide
CID 119883692
(3-benzyl-2-methylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride
CID 119806940
(3-benzyl-2-methylpyrrolidin-1-yl)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methanone
CID 154867595

Frequently Asked Questions

What is the IUPAC name of (3-benzyl-2-methylpyrrolidin-1-yl)-morpholin-3-ylmethanone?
The IUPAC name of (3-benzyl-2-methylpyrrolidin-1-yl)-morpholin-3-ylmethanone (CID 119806905) is (3-benzyl-2-methylpyrrolidin-1-yl)-morpholin-3-ylmethanone.
What is the SMILES notation for (3-benzyl-2-methylpyrrolidin-1-yl)-morpholin-3-ylmethanone?
The canonical SMILES for (3-benzyl-2-methylpyrrolidin-1-yl)-morpholin-3-ylmethanone is CC1C(Cc2ccccc2)CCN1C(=O)C1COCCN1.
What is the InChIKey of (3-benzyl-2-methylpyrrolidin-1-yl)-morpholin-3-ylmethanone?
The InChIKey is HKECLVQLWRBCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13-15(11-14-5-3-2-4-6-14)7-9-19(13)17(20)16-12-21-10-8-18-16/h2-6,13,15-16,18H,7-12H2,1H3.
What are the key properties of (3-benzyl-2-methylpyrrolidin-1-yl)-morpholin-3-ylmethanone?
(3-benzyl-2-methylpyrrolidin-1-yl)-morpholin-3-ylmethanone has a molecular weight of 288.39 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-2-methylpyrrolidin-1-yl)-morpholin-3-ylmethanone is sourced from PubChem (CID 119806905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).