4-[[4-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methyl]azetidin-2-one

C20H26ClN3O2 — CID 123452577

IUPAC4-[[4-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methyl]azetidin-2-one
SMILESO=C1CC(CN2CCC(C(=O)N3CCC(c4ccc(Cl)cc4)C3)CC2)N1
InChIInChI=1S/C20H26ClN3O2/c21-17-3-1-14(2-4-17)16-7-10-24(12-16)20(26)15-5-8-23(9-6-15)13-18-11-19(25)22-18/h1-4,15-16,18H,5-13H2,(H,22,25)
InChIKeySWBJTSJYNJJOPU-UHFFFAOYSA-N
MW375.90 g/mol
LogP2.26
Rot. Bonds4

About 4-[[4-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methyl]azetidin-2-one

4-[[4-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methyl]azetidin-2-one (PubChem CID 123452577) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 4-[[4-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methyl]azetidin-2-one.

Molecular Properties

Compound Name4-[[4-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methyl]azetidin-2-one
PubChem CID123452577
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name4-[[4-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methyl]azetidin-2-one
SMILESO=C1CC(CN2CCC(C(=O)N3CCC(c4ccc(Cl)cc4)C3)CC2)N1
InChIInChI=1S/C20H26ClN3O2/c21-17-3-1-14(2-4-17)16-7-10-24(12-16)20(26)15-5-8-23(9-6-15)13-18-11-19(25)22-18/h1-4,15-16,18H,5-13H2,(H,22,25)
InChIKeySWBJTSJYNJJOPU-UHFFFAOYSA-N
XLogP2.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methyl]azetidin-2-one?
The IUPAC name of 4-[[4-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methyl]azetidin-2-one (CID 123452577) is 4-[[4-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methyl]azetidin-2-one.
What is the SMILES notation for 4-[[4-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methyl]azetidin-2-one?
The canonical SMILES for 4-[[4-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methyl]azetidin-2-one is O=C1CC(CN2CCC(C(=O)N3CCC(c4ccc(Cl)cc4)C3)CC2)N1.
What is the InChIKey of 4-[[4-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methyl]azetidin-2-one?
The InChIKey is SWBJTSJYNJJOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O2/c21-17-3-1-14(2-4-17)16-7-10-24(12-16)20(26)15-5-8-23(9-6-15)13-18-11-19(25)22-18/h1-4,15-16,18H,5-13H2,(H,22,25).
What are the key properties of 4-[[4-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methyl]azetidin-2-one?
4-[[4-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methyl]azetidin-2-one has a molecular weight of 375.90 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methyl]azetidin-2-one is sourced from PubChem (CID 123452577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).