2-(N-phenylanilino)-1-piperazin-1-ylpropan-1-one

C19H23N3O — CID 10470597

IUPAC2-(N-phenylanilino)-1-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCNCC1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23N3O/c1-16(19(23)21-14-12-20-13-15-21)22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,20H,12-15H2,1H3
InChIKeyIAXQUSOAGYNURW-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.64
Rot. Bonds4

About 2-(N-phenylanilino)-1-piperazin-1-ylpropan-1-one

2-(N-phenylanilino)-1-piperazin-1-ylpropan-1-one (PubChem CID 10470597) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(N-phenylanilino)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(N-phenylanilino)-1-piperazin-1-ylpropan-1-one
PubChem CID10470597
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2-(N-phenylanilino)-1-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCNCC1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23N3O/c1-16(19(23)21-14-12-20-13-15-21)22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,20H,12-15H2,1H3
InChIKeyIAXQUSOAGYNURW-UHFFFAOYSA-N
XLogP2.64
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-1-piperazin-1-ylpropan-1-one
CID 52983882
3-methyl-2-phenyl-1-piperazin-1-ylbutan-1-one
CID 82086271
2-hydrazinyl-2-phenyl-1-piperazin-1-ylethanone
CID 82510408
N-[(1S)-1-phenylethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide
CID 102420042
2,3-diphenyl-1-piperazin-1-ylpropan-1-one
CID 57105688
N-(1-phenylethyl)piperazine-1-carboxamide
CID 22011928
2-[methyl(propyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43271283
tert-butyl-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamic acid
CID 175810049
2-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylethanone
CID 61018802
tert-butyl N-phenyl-N-(piperazine-1-carbonyl)carbamate
CID 91520427
3-phenyl-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119401565
1-(1,4-diazepan-1-yl)-3-methyl-2-phenylpentan-1-one;hydrochloride
CID 119414979

Frequently Asked Questions

What is the IUPAC name of 2-(N-phenylanilino)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-(N-phenylanilino)-1-piperazin-1-ylpropan-1-one (CID 10470597) is 2-(N-phenylanilino)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-(N-phenylanilino)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-(N-phenylanilino)-1-piperazin-1-ylpropan-1-one is CC(C(=O)N1CCNCC1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(N-phenylanilino)-1-piperazin-1-ylpropan-1-one?
The InChIKey is IAXQUSOAGYNURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-16(19(23)21-14-12-20-13-15-21)22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,20H,12-15H2,1H3.
What are the key properties of 2-(N-phenylanilino)-1-piperazin-1-ylpropan-1-one?
2-(N-phenylanilino)-1-piperazin-1-ylpropan-1-one has a molecular weight of 309.41 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-phenylanilino)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 10470597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).