(3R)-5-oxo-1-(2-piperidin-1-ylphenyl)pyrrolidine-3-carbonyl chloride

C16H19ClN2O2 — CID 94077588

IUPAC(3R)-5-oxo-1-(2-piperidin-1-ylphenyl)pyrrolidine-3-carbonyl chloride
SMILESO=C(Cl)[C@@H]1CC(=O)N(c2ccccc2N2CCCCC2)C1
InChIInChI=1S/C16H19ClN2O2/c17-16(21)12-10-15(20)19(11-12)14-7-3-2-6-13(14)18-8-4-1-5-9-18/h2-3,6-7,12H,1,4-5,8-11H2/t12-/m1/s1
InChIKeyNXNKMLAPCWGMOI-GFCCVEGCSA-N
MW306.79 g/mol
LogP2.80
Rot. Bonds3

About (3R)-5-oxo-1-(2-piperidin-1-ylphenyl)pyrrolidine-3-carbonyl chloride

(3R)-5-oxo-1-(2-piperidin-1-ylphenyl)pyrrolidine-3-carbonyl chloride (PubChem CID 94077588) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is (3R)-5-oxo-1-(2-piperidin-1-ylphenyl)pyrrolidine-3-carbonyl chloride.

Molecular Properties

Compound Name(3R)-5-oxo-1-(2-piperidin-1-ylphenyl)pyrrolidine-3-carbonyl chloride
PubChem CID94077588
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name(3R)-5-oxo-1-(2-piperidin-1-ylphenyl)pyrrolidine-3-carbonyl chloride
SMILESO=C(Cl)[C@@H]1CC(=O)N(c2ccccc2N2CCCCC2)C1
InChIInChI=1S/C16H19ClN2O2/c17-16(21)12-10-15(20)19(11-12)14-7-3-2-6-13(14)18-8-4-1-5-9-18/h2-3,6-7,12H,1,4-5,8-11H2/t12-/m1/s1
InChIKeyNXNKMLAPCWGMOI-GFCCVEGCSA-N
XLogP2.80
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (3S)-5-oxo-1-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxylate
CID 94077585
methyl 5-oxo-1-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylate
CID 50879609
4-hydroxy-1-(2-pyrrolidin-1-ylphenyl)pyrrolidin-2-one
CID 168703559
(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94075915
ethyl (3S)-5-oxo-1-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylate
CID 94077638
4-ethynyl-1-(2-piperidin-1-ylphenyl)pyrrolidin-2-one
CID 168502435
1-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 50895960
(3S)-1-(2-chlorophenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 8832147
5-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxylic acid
CID 168691890
1-[2-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 50882349
4-(morpholine-4-carbonyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 113189973
(3R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94671849

Frequently Asked Questions

What is the IUPAC name of (3R)-5-oxo-1-(2-piperidin-1-ylphenyl)pyrrolidine-3-carbonyl chloride?
The IUPAC name of (3R)-5-oxo-1-(2-piperidin-1-ylphenyl)pyrrolidine-3-carbonyl chloride (CID 94077588) is (3R)-5-oxo-1-(2-piperidin-1-ylphenyl)pyrrolidine-3-carbonyl chloride.
What is the SMILES notation for (3R)-5-oxo-1-(2-piperidin-1-ylphenyl)pyrrolidine-3-carbonyl chloride?
The canonical SMILES for (3R)-5-oxo-1-(2-piperidin-1-ylphenyl)pyrrolidine-3-carbonyl chloride is O=C(Cl)[C@@H]1CC(=O)N(c2ccccc2N2CCCCC2)C1.
What is the InChIKey of (3R)-5-oxo-1-(2-piperidin-1-ylphenyl)pyrrolidine-3-carbonyl chloride?
The InChIKey is NXNKMLAPCWGMOI-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c17-16(21)12-10-15(20)19(11-12)14-7-3-2-6-13(14)18-8-4-1-5-9-18/h2-3,6-7,12H,1,4-5,8-11H2/t12-/m1/s1.
What are the key properties of (3R)-5-oxo-1-(2-piperidin-1-ylphenyl)pyrrolidine-3-carbonyl chloride?
(3R)-5-oxo-1-(2-piperidin-1-ylphenyl)pyrrolidine-3-carbonyl chloride has a molecular weight of 306.79 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-oxo-1-(2-piperidin-1-ylphenyl)pyrrolidine-3-carbonyl chloride is sourced from PubChem (CID 94077588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).