[1-(4-bromobenzoyl)-3-phenylpyrrolidin-2-yl]-piperidin-1-ylmethanone

C23H25BrN2O2 — CID 56683551

IUPAC[1-(4-bromobenzoyl)-3-phenylpyrrolidin-2-yl]-piperidin-1-ylmethanone
SMILESO=C(C1C(c2ccccc2)CCN1C(=O)c1ccc(Br)cc1)N1CCCCC1
InChIInChI=1S/C23H25BrN2O2/c24-19-11-9-18(10-12-19)22(27)26-16-13-20(17-7-3-1-4-8-17)21(26)23(28)25-14-5-2-6-15-25/h1,3-4,7-12,20-21H,2,5-6,13-16H2
InChIKeyHRFDDWAJISMQHN-UHFFFAOYSA-N
MW441.37 g/mol
LogP4.46
Rot. Bonds3

About [1-(4-bromobenzoyl)-3-phenylpyrrolidin-2-yl]-piperidin-1-ylmethanone

[1-(4-bromobenzoyl)-3-phenylpyrrolidin-2-yl]-piperidin-1-ylmethanone (PubChem CID 56683551) has the molecular formula C23H25BrN2O2 and a molecular weight of 441.37 g/mol. Its IUPAC name is [1-(4-bromobenzoyl)-3-phenylpyrrolidin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-bromobenzoyl)-3-phenylpyrrolidin-2-yl]-piperidin-1-ylmethanone
PubChem CID56683551
Molecular FormulaC23H25BrN2O2
Molecular Weight441.37 g/mol
Exact Mass440.11
IUPAC Name[1-(4-bromobenzoyl)-3-phenylpyrrolidin-2-yl]-piperidin-1-ylmethanone
SMILESO=C(C1C(c2ccccc2)CCN1C(=O)c1ccc(Br)cc1)N1CCCCC1
InChIInChI=1S/C23H25BrN2O2/c24-19-11-9-18(10-12-19)22(27)26-16-13-20(17-7-3-1-4-8-17)21(26)23(28)25-14-5-2-6-15-25/h1,3-4,7-12,20-21H,2,5-6,13-16H2
InChIKeyHRFDDWAJISMQHN-UHFFFAOYSA-N
XLogP4.46
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.37
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-bromobenzoyl)-3-phenylpyrrolidin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(4-bromobenzoyl)-3-phenylpyrrolidin-2-yl]-piperidin-1-ylmethanone (CID 56683551) is [1-(4-bromobenzoyl)-3-phenylpyrrolidin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(4-bromobenzoyl)-3-phenylpyrrolidin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(4-bromobenzoyl)-3-phenylpyrrolidin-2-yl]-piperidin-1-ylmethanone is O=C(C1C(c2ccccc2)CCN1C(=O)c1ccc(Br)cc1)N1CCCCC1.
What is the InChIKey of [1-(4-bromobenzoyl)-3-phenylpyrrolidin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is HRFDDWAJISMQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN2O2/c24-19-11-9-18(10-12-19)22(27)26-16-13-20(17-7-3-1-4-8-17)21(26)23(28)25-14-5-2-6-15-25/h1,3-4,7-12,20-21H,2,5-6,13-16H2.
What are the key properties of [1-(4-bromobenzoyl)-3-phenylpyrrolidin-2-yl]-piperidin-1-ylmethanone?
[1-(4-bromobenzoyl)-3-phenylpyrrolidin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 441.37 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromobenzoyl)-3-phenylpyrrolidin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 56683551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).