(3-benzylpyrrolidin-1-yl)-morpholin-3-ylmethanone

C16H22N2O2 — CID 119725012

IUPAC(3-benzylpyrrolidin-1-yl)-morpholin-3-ylmethanone
SMILESO=C(C1COCCN1)N1CCC(Cc2ccccc2)C1
InChIInChI=1S/C16H22N2O2/c19-16(15-12-20-9-7-17-15)18-8-6-14(11-18)10-13-4-2-1-3-5-13/h1-5,14-15,17H,6-12H2
InChIKeyMLUIHBACZDBGNI-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.07
Rot. Bonds3

About (3-benzylpyrrolidin-1-yl)-morpholin-3-ylmethanone

(3-benzylpyrrolidin-1-yl)-morpholin-3-ylmethanone (PubChem CID 119725012) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (3-benzylpyrrolidin-1-yl)-morpholin-3-ylmethanone.

Molecular Properties

Compound Name(3-benzylpyrrolidin-1-yl)-morpholin-3-ylmethanone
PubChem CID119725012
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(3-benzylpyrrolidin-1-yl)-morpholin-3-ylmethanone
SMILESO=C(C1COCCN1)N1CCC(Cc2ccccc2)C1
InChIInChI=1S/C16H22N2O2/c19-16(15-12-20-9-7-17-15)18-8-6-14(11-18)10-13-4-2-1-3-5-13/h1-5,14-15,17H,6-12H2
InChIKeyMLUIHBACZDBGNI-UHFFFAOYSA-N
XLogP1.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-benzylpyrrolidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119290280
(3-ethylpyrrolidin-1-yl)-morpholin-3-ylmethanone
CID 115740814
morpholin-3-yl-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride
CID 119697027
(3-benzylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119320187
(3-benzyl-2-methylpyrrolidin-1-yl)-morpholin-3-ylmethanone
CID 119806905
N-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-3-carboxamide
CID 119883692
(3-benzylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110874334
[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-morpholin-3-ylmethanone;hydrochloride
CID 119698256
[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride
CID 119878565
cis-(1R,2S)-2-[(3R)-3-benzylpyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125131885
1-(3-benzylpyrrolidin-1-yl)-2-chloroethanone
CID 166404042
[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119336604

Frequently Asked Questions

What is the IUPAC name of (3-benzylpyrrolidin-1-yl)-morpholin-3-ylmethanone?
The IUPAC name of (3-benzylpyrrolidin-1-yl)-morpholin-3-ylmethanone (CID 119725012) is (3-benzylpyrrolidin-1-yl)-morpholin-3-ylmethanone.
What is the SMILES notation for (3-benzylpyrrolidin-1-yl)-morpholin-3-ylmethanone?
The canonical SMILES for (3-benzylpyrrolidin-1-yl)-morpholin-3-ylmethanone is O=C(C1COCCN1)N1CCC(Cc2ccccc2)C1.
What is the InChIKey of (3-benzylpyrrolidin-1-yl)-morpholin-3-ylmethanone?
The InChIKey is MLUIHBACZDBGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(15-12-20-9-7-17-15)18-8-6-14(11-18)10-13-4-2-1-3-5-13/h1-5,14-15,17H,6-12H2.
What are the key properties of (3-benzylpyrrolidin-1-yl)-morpholin-3-ylmethanone?
(3-benzylpyrrolidin-1-yl)-morpholin-3-ylmethanone has a molecular weight of 274.36 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzylpyrrolidin-1-yl)-morpholin-3-ylmethanone is sourced from PubChem (CID 119725012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).