2-amino-1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pentan-1-one

C18H27N3O2 — CID 119314467

IUPAC2-amino-1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pentan-1-one
SMILESCCCC(N)C(=O)N1CCN(C(=O)Cc2ccc(C)cc2)CC1
InChIInChI=1S/C18H27N3O2/c1-3-4-16(19)18(23)21-11-9-20(10-12-21)17(22)13-15-7-5-14(2)6-8-15/h5-8,16H,3-4,9-13,19H2,1-2H3
InChIKeyPYEDFUMGOHFLRX-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.34
Rot. Bonds5

About 2-amino-1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pentan-1-one

2-amino-1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pentan-1-one (PubChem CID 119314467) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-amino-1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pentan-1-one
PubChem CID119314467
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-amino-1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pentan-1-one
SMILESCCCC(N)C(=O)N1CCN(C(=O)Cc2ccc(C)cc2)CC1
InChIInChI=1S/C18H27N3O2/c1-3-4-16(19)18(23)21-11-9-20(10-12-21)17(22)13-15-7-5-14(2)6-8-15/h5-8,16H,3-4,9-13,19H2,1-2H3
InChIKeyPYEDFUMGOHFLRX-UHFFFAOYSA-N
XLogP1.34
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]butan-1-one
CID 119767921
1-[4-[2-(methylamino)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 119767898
2-amino-1-[4-(4-phenylbutanoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 119312366
N,N-dimethyl-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide
CID 110365768
(2S)-2-amino-1-(azetidin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 150668199
2-amino-1-(4-phenylpiperazin-1-yl)pentan-1-one
CID 43650090
2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-propylpropanamide
CID 51107206
2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]pentanamide
CID 119310610
(2R)-2-amino-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
CID 59968912
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 43416163
(2S)-2-amino-1-piperazin-1-ylpentan-1-one
CID 93255588
1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 111432626

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pentan-1-one?
The IUPAC name of 2-amino-1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pentan-1-one (CID 119314467) is 2-amino-1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 2-amino-1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pentan-1-one?
The canonical SMILES for 2-amino-1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pentan-1-one is CCCC(N)C(=O)N1CCN(C(=O)Cc2ccc(C)cc2)CC1.
What is the InChIKey of 2-amino-1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pentan-1-one?
The InChIKey is PYEDFUMGOHFLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-4-16(19)18(23)21-11-9-20(10-12-21)17(22)13-15-7-5-14(2)6-8-15/h5-8,16H,3-4,9-13,19H2,1-2H3.
What are the key properties of 2-amino-1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pentan-1-one?
2-amino-1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pentan-1-one has a molecular weight of 317.43 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 119314467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).