1-(4-methylpiperazin-1-yl)-2,2-diphenylpentan-1-one

C22H28N2O — CID 963610

IUPAC1-(4-methylpiperazin-1-yl)-2,2-diphenylpentan-1-one
SMILESCCCC(C(=O)N1CCN(C)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28N2O/c1-3-14-22(19-10-6-4-7-11-19,20-12-8-5-9-13-20)21(25)24-17-15-23(2)16-18-24/h4-13H,3,14-18H2,1-2H3
InChIKeyYRKSGLXVRKDJFW-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.55
Rot. Bonds5

About 1-(4-methylpiperazin-1-yl)-2,2-diphenylpentan-1-one

1-(4-methylpiperazin-1-yl)-2,2-diphenylpentan-1-one (PubChem CID 963610) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2,2-diphenylpentan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2,2-diphenylpentan-1-one
PubChem CID963610
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name1-(4-methylpiperazin-1-yl)-2,2-diphenylpentan-1-one
SMILESCCCC(C(=O)N1CCN(C)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28N2O/c1-3-14-22(19-10-6-4-7-11-19,20-12-8-5-9-13-20)21(25)24-17-15-23(2)16-18-24/h4-13H,3,14-18H2,1-2H3
InChIKeyYRKSGLXVRKDJFW-UHFFFAOYSA-N
XLogP3.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azocan-1-yl)-2,2-diphenylhexan-1-one
CID 166327388
(2S)-2-fluoro-1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one
CID 71449758
benzoic acid;1,4-dimethylpiperazine
CID 166460840
2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-phenylpropanamide
CID 108960744
1-[4-(4-hydroxybutyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 110931592
4-(4-methylpiperazin-1-yl)-2-phenyl-2-pyridin-2-ylbutanamide
CID 10315097
4-[bis(prop-2-enyl)amino]-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one
CID 110173878
2-[(4-methylpiperazine-1-carbonyl)amino]-2-phenylpropanoic acid
CID 62487324
2-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetic acid
CID 114199768
2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide
CID 108960695
2-amino-2-methyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-1-one
CID 60848035
2-methyl-3-(4-methylpiperazin-1-yl)-2-phenylpropanoic acid
CID 62270100

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2,2-diphenylpentan-1-one?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2,2-diphenylpentan-1-one (CID 963610) is 1-(4-methylpiperazin-1-yl)-2,2-diphenylpentan-1-one.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2,2-diphenylpentan-1-one?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2,2-diphenylpentan-1-one is CCCC(C(=O)N1CCN(C)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2,2-diphenylpentan-1-one?
The InChIKey is YRKSGLXVRKDJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-3-14-22(19-10-6-4-7-11-19,20-12-8-5-9-13-20)21(25)24-17-15-23(2)16-18-24/h4-13H,3,14-18H2,1-2H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2,2-diphenylpentan-1-one?
1-(4-methylpiperazin-1-yl)-2,2-diphenylpentan-1-one has a molecular weight of 336.48 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2,2-diphenylpentan-1-one is sourced from PubChem (CID 963610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).