1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one

C16H24N2O — CID 110399548

IUPAC1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(C(C)Cc2ccccc2)CC1
InChIInChI=1S/C16H24N2O/c1-3-16(19)18-11-9-17(10-12-18)14(2)13-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3
InChIKeyLGMIPESLHAFFCU-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.17
Rot. Bonds4

About 1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one

1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one (PubChem CID 110399548) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one
PubChem CID110399548
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(C(C)Cc2ccccc2)CC1
InChIInChI=1S/C16H24N2O/c1-3-16(19)18-11-9-17(10-12-18)14(2)13-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3
InChIKeyLGMIPESLHAFFCU-UHFFFAOYSA-N
XLogP2.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methoxyphenyl)-1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one
CID 110399607
3-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propanoic acid
CID 65055622
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
1-(1-phenylpropan-2-yl)piperidine-4-carboxylic acid
CID 65053936
1-(1-phenylpropan-2-yl)piperidine
CID 11321650
2-[4-(1-phenylpropan-2-yl)-1,4-diazepan-1-yl]acetic acid
CID 65061746
2-benzylsulfanyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 51107986
oxolan-2-yl-[4-(1-phenylpropan-2-yl)piperazin-1-yl]methanone
CID 110399555
N-phenyl-N-[1-[(2S)-1-phenylpropan-2-yl]piperidin-4-yl]propanamide
CID 36689715
1-[(2R)-1-phenylpropan-2-yl]piperidin-4-ol
CID 129494382
2,3-dihydro-1,4-benzodioxin-3-yl-[4-(1-phenylpropan-2-yl)piperazin-1-yl]methanone
CID 134109844
4-[(2R)-1-phenylpropan-2-yl]morpholine
CID 71110957

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one (CID 110399548) is 1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(C(C)Cc2ccccc2)CC1.
What is the InChIKey of 1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one?
The InChIKey is LGMIPESLHAFFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-16(19)18-11-9-17(10-12-18)14(2)13-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3.
What are the key properties of 1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one?
1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110399548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).