3-(1-benzoylpiperidin-4-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one

C22H33N3O2 — CID 91913389

IUPAC3-(1-benzoylpiperidin-4-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)N1CCN(C(=O)CCC2CCN(C(=O)c3ccccc3)CC2)CC1
InChIInChI=1S/C22H33N3O2/c1-18(2)23-14-16-24(17-15-23)21(26)9-8-19-10-12-25(13-11-19)22(27)20-6-4-3-5-7-20/h3-7,18-19H,8-17H2,1-2H3
InChIKeyLYWUQBVQRSIPDO-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.87
Rot. Bonds5

About 3-(1-benzoylpiperidin-4-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one

3-(1-benzoylpiperidin-4-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 91913389) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 3-(1-benzoylpiperidin-4-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(1-benzoylpiperidin-4-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
PubChem CID91913389
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name3-(1-benzoylpiperidin-4-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)N1CCN(C(=O)CCC2CCN(C(=O)c3ccccc3)CC2)CC1
InChIInChI=1S/C22H33N3O2/c1-18(2)23-14-16-24(17-15-23)21(26)9-8-19-10-12-25(13-11-19)22(27)20-6-4-3-5-7-20/h3-7,18-19H,8-17H2,1-2H3
InChIKeyLYWUQBVQRSIPDO-UHFFFAOYSA-N
XLogP2.87
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione
CID 91004491
3-cyclopentyl-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]propan-1-one
CID 92756535
3-cyclohexyl-1-[4-(4-phenylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108544297
1-(4-benzhydrylpiperazin-1-yl)-3-cyclohexylpropan-1-one
CID 1328826
[4-[2-(azetidin-3-yl)ethyl]piperidin-1-yl]-phenylmethanone
CID 90953914
3-(1-benzoylpiperidin-4-yl)-N-(cyclohexylmethyl)propanamide
CID 91913388
N-[2-(1-benzoylpiperidin-4-yl)ethyl]pentanamide
CID 46379006
(2S)-2-amino-1-[4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one
CID 72839247
phenyl-[4-(3-phenylpropyl)piperidin-1-yl]methanone
CID 168948503
2-(1-benzoylpiperidin-4-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 46294968
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2,2-dimethylpropanamide
CID 46378993
(5R)-5-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 94150710

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzoylpiperidin-4-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(1-benzoylpiperidin-4-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one (CID 91913389) is 3-(1-benzoylpiperidin-4-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(1-benzoylpiperidin-4-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(1-benzoylpiperidin-4-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one is CC(C)N1CCN(C(=O)CCC2CCN(C(=O)c3ccccc3)CC2)CC1.
What is the InChIKey of 3-(1-benzoylpiperidin-4-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is LYWUQBVQRSIPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-18(2)23-14-16-24(17-15-23)21(26)9-8-19-10-12-25(13-11-19)22(27)20-6-4-3-5-7-20/h3-7,18-19H,8-17H2,1-2H3.
What are the key properties of 3-(1-benzoylpiperidin-4-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
3-(1-benzoylpiperidin-4-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 371.53 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzoylpiperidin-4-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 91913389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).