3-[4-[3-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]-1-phenylpiperidin-2-one

C22H31N5O — CID 75474297

IUPAC3-[4-[3-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]-1-phenylpiperidin-2-one
SMILESCc1nccn1CCCN1CCN(C2CCCN(c3ccccc3)C2=O)CC1
InChIInChI=1S/C22H31N5O/c1-19-23-10-14-25(19)12-6-11-24-15-17-26(18-16-24)21-9-5-13-27(22(21)28)20-7-3-2-4-8-20/h2-4,7-8,10,14,21H,5-6,9,11-13,15-18H2,1H3
InChIKeyORGGAEGUCJTMDU-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.39
Rot. Bonds6

About 3-[4-[3-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]-1-phenylpiperidin-2-one

3-[4-[3-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]-1-phenylpiperidin-2-one (PubChem CID 75474297) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is 3-[4-[3-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]-1-phenylpiperidin-2-one.

Molecular Properties

Compound Name3-[4-[3-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]-1-phenylpiperidin-2-one
PubChem CID75474297
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Name3-[4-[3-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]-1-phenylpiperidin-2-one
SMILESCc1nccn1CCCN1CCN(C2CCCN(c3ccccc3)C2=O)CC1
InChIInChI=1S/C22H31N5O/c1-19-23-10-14-25(19)12-6-11-24-15-17-26(18-16-24)21-9-5-13-27(22(21)28)20-7-3-2-4-8-20/h2-4,7-8,10,14,21H,5-6,9,11-13,15-18H2,1H3
InChIKeyORGGAEGUCJTMDU-UHFFFAOYSA-N
XLogP2.39
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]-1-phenylpiperidin-2-one?
The IUPAC name of 3-[4-[3-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]-1-phenylpiperidin-2-one (CID 75474297) is 3-[4-[3-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]-1-phenylpiperidin-2-one.
What is the SMILES notation for 3-[4-[3-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]-1-phenylpiperidin-2-one?
The canonical SMILES for 3-[4-[3-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]-1-phenylpiperidin-2-one is Cc1nccn1CCCN1CCN(C2CCCN(c3ccccc3)C2=O)CC1.
What is the InChIKey of 3-[4-[3-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]-1-phenylpiperidin-2-one?
The InChIKey is ORGGAEGUCJTMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-19-23-10-14-25(19)12-6-11-24-15-17-26(18-16-24)21-9-5-13-27(22(21)28)20-7-3-2-4-8-20/h2-4,7-8,10,14,21H,5-6,9,11-13,15-18H2,1H3.
What are the key properties of 3-[4-[3-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]-1-phenylpiperidin-2-one?
3-[4-[3-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]-1-phenylpiperidin-2-one has a molecular weight of 381.52 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]-1-phenylpiperidin-2-one is sourced from PubChem (CID 75474297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).