1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]piperidin-2-one

C27H32N2O — CID 143469625

IUPAC1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]piperidin-2-one
SMILESO=C1CCCCN1CCc1ccc(C2=CCC3CN(Cc4ccccc4)CC23)cc1
InChIInChI=1S/C27H32N2O/c30-27-8-4-5-16-29(27)17-15-21-9-11-23(12-10-21)25-14-13-24-19-28(20-26(24)25)18-22-6-2-1-3-7-22/h1-3,6-7,9-12,14,24,26H,4-5,8,13,15-20H2
InChIKeyAUTLZKVIBPPXMA-UHFFFAOYSA-N
MW400.57 g/mol
LogP4.78
Rot. Bonds6

About 1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]piperidin-2-one

1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]piperidin-2-one (PubChem CID 143469625) has the molecular formula C27H32N2O and a molecular weight of 400.57 g/mol. Its IUPAC name is 1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]piperidin-2-one
PubChem CID143469625
Molecular FormulaC27H32N2O
Molecular Weight400.57 g/mol
Exact Mass400.25
IUPAC Name1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]piperidin-2-one
SMILESO=C1CCCCN1CCc1ccc(C2=CCC3CN(Cc4ccccc4)CC23)cc1
InChIInChI=1S/C27H32N2O/c30-27-8-4-5-16-29(27)17-15-21-9-11-23(12-10-21)25-14-13-24-19-28(20-26(24)25)18-22-6-2-1-3-7-22/h1-3,6-7,9-12,14,24,26H,4-5,8,13,15-20H2
InChIKeyAUTLZKVIBPPXMA-UHFFFAOYSA-N
XLogP4.78
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]piperidin-2-one?
The IUPAC name of 1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]piperidin-2-one (CID 143469625) is 1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]piperidin-2-one is O=C1CCCCN1CCc1ccc(C2=CCC3CN(Cc4ccccc4)CC23)cc1.
What is the InChIKey of 1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]piperidin-2-one?
The InChIKey is AUTLZKVIBPPXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O/c30-27-8-4-5-16-29(27)17-15-21-9-11-23(12-10-21)25-14-13-24-19-28(20-26(24)25)18-22-6-2-1-3-7-22/h1-3,6-7,9-12,14,24,26H,4-5,8,13,15-20H2.
What are the key properties of 1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]piperidin-2-one?
1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]piperidin-2-one has a molecular weight of 400.57 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]piperidin-2-one is sourced from PubChem (CID 143469625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).