1-[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-2-ethoxyethanone

C20H29ClN2O2 — CID 45226715

IUPAC1-[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-2-ethoxyethanone
SMILESCCOCC(=O)N1CCC(C2CCN(Cc3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C20H29ClN2O2/c1-2-25-15-20(24)23-11-8-17(9-12-23)18-7-10-22(14-18)13-16-3-5-19(21)6-4-16/h3-6,17-18H,2,7-15H2,1H3
InChIKeyJUZBZNZSJKVQHW-UHFFFAOYSA-N
MW364.92 g/mol
LogP3.44
Rot. Bonds6

About 1-[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-2-ethoxyethanone

1-[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-2-ethoxyethanone (PubChem CID 45226715) has the molecular formula C20H29ClN2O2 and a molecular weight of 364.92 g/mol. Its IUPAC name is 1-[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-2-ethoxyethanone.

Molecular Properties

Compound Name1-[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-2-ethoxyethanone
PubChem CID45226715
Molecular FormulaC20H29ClN2O2
Molecular Weight364.92 g/mol
Exact Mass364.19
IUPAC Name1-[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-2-ethoxyethanone
SMILESCCOCC(=O)N1CCC(C2CCN(Cc3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C20H29ClN2O2/c1-2-25-15-20(24)23-11-8-17(9-12-23)18-7-10-22(14-18)13-16-3-5-19(21)6-4-16/h3-6,17-18H,2,7-15H2,1H3
InChIKeyJUZBZNZSJKVQHW-UHFFFAOYSA-N
XLogP3.44
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-2-ethoxyethanone?
The IUPAC name of 1-[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-2-ethoxyethanone (CID 45226715) is 1-[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-2-ethoxyethanone.
What is the SMILES notation for 1-[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-2-ethoxyethanone?
The canonical SMILES for 1-[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-2-ethoxyethanone is CCOCC(=O)N1CCC(C2CCN(Cc3ccc(Cl)cc3)C2)CC1.
What is the InChIKey of 1-[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-2-ethoxyethanone?
The InChIKey is JUZBZNZSJKVQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O2/c1-2-25-15-20(24)23-11-8-17(9-12-23)18-7-10-22(14-18)13-16-3-5-19(21)6-4-16/h3-6,17-18H,2,7-15H2,1H3.
What are the key properties of 1-[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-2-ethoxyethanone?
1-[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-2-ethoxyethanone has a molecular weight of 364.92 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-2-ethoxyethanone is sourced from PubChem (CID 45226715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).