(5S)-1-benzyl-5-(morpholine-4-carbonyl)pyrrolidine-2-carbaldehyde

C17H22N2O3 — CID 174775048

IUPAC(5S)-1-benzyl-5-(morpholine-4-carbonyl)pyrrolidine-2-carbaldehyde
SMILESO=CC1CC[C@@H](C(=O)N2CCOCC2)N1Cc1ccccc1
InChIInChI=1S/C17H22N2O3/c20-13-15-6-7-16(17(21)18-8-10-22-11-9-18)19(15)12-14-4-2-1-3-5-14/h1-5,13,15-16H,6-12H2/t15?,16-/m0/s1
InChIKeySIORQTBSSRFOFZ-LYKKTTPLSA-N
MW302.37 g/mol
LogP1.08
Rot. Bonds4

About (5S)-1-benzyl-5-(morpholine-4-carbonyl)pyrrolidine-2-carbaldehyde

(5S)-1-benzyl-5-(morpholine-4-carbonyl)pyrrolidine-2-carbaldehyde (PubChem CID 174775048) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is (5S)-1-benzyl-5-(morpholine-4-carbonyl)pyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name(5S)-1-benzyl-5-(morpholine-4-carbonyl)pyrrolidine-2-carbaldehyde
PubChem CID174775048
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name(5S)-1-benzyl-5-(morpholine-4-carbonyl)pyrrolidine-2-carbaldehyde
SMILESO=CC1CC[C@@H](C(=O)N2CCOCC2)N1Cc1ccccc1
InChIInChI=1S/C17H22N2O3/c20-13-15-6-7-16(17(21)18-8-10-22-11-9-18)19(15)12-14-4-2-1-3-5-14/h1-5,13,15-16H,6-12H2/t15?,16-/m0/s1
InChIKeySIORQTBSSRFOFZ-LYKKTTPLSA-N
XLogP1.08
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-benzyl-N-ethyl-2-(morpholine-4-carbonyl)piperazine-1-carboxamide
CID 24730515
(2S)-1-benzylpyrrolidine-2,5-dicarboxylic acid
CID 175511692
(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 23282646
[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 56752149
N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-4-carboxamide
CID 3741735
1-(4-benzylpiperazin-1-yl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 55446651
[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 95176295
(5R,6R)-1-benzyl-5-(morpholine-4-carbonyl)-6-phenylpiperidin-2-one
CID 94582684
(1-benzylpyrrolidin-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 60578972
[1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 78873697
1-benzyl-4-methylazetidine-2-carbaldehyde
CID 59908727
[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-(1,4-oxazepan-4-yl)methanone
CID 56861468

Frequently Asked Questions

What is the IUPAC name of (5S)-1-benzyl-5-(morpholine-4-carbonyl)pyrrolidine-2-carbaldehyde?
The IUPAC name of (5S)-1-benzyl-5-(morpholine-4-carbonyl)pyrrolidine-2-carbaldehyde (CID 174775048) is (5S)-1-benzyl-5-(morpholine-4-carbonyl)pyrrolidine-2-carbaldehyde.
What is the SMILES notation for (5S)-1-benzyl-5-(morpholine-4-carbonyl)pyrrolidine-2-carbaldehyde?
The canonical SMILES for (5S)-1-benzyl-5-(morpholine-4-carbonyl)pyrrolidine-2-carbaldehyde is O=CC1CC[C@@H](C(=O)N2CCOCC2)N1Cc1ccccc1.
What is the InChIKey of (5S)-1-benzyl-5-(morpholine-4-carbonyl)pyrrolidine-2-carbaldehyde?
The InChIKey is SIORQTBSSRFOFZ-LYKKTTPLSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-13-15-6-7-16(17(21)18-8-10-22-11-9-18)19(15)12-14-4-2-1-3-5-14/h1-5,13,15-16H,6-12H2/t15?,16-/m0/s1.
What are the key properties of (5S)-1-benzyl-5-(morpholine-4-carbonyl)pyrrolidine-2-carbaldehyde?
(5S)-1-benzyl-5-(morpholine-4-carbonyl)pyrrolidine-2-carbaldehyde has a molecular weight of 302.37 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-benzyl-5-(morpholine-4-carbonyl)pyrrolidine-2-carbaldehyde is sourced from PubChem (CID 174775048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).