1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pentan-1-one

C17H26N2O2 — CID 110398877

IUPAC1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C17H26N2O2/c1-3-4-5-17(20)19-12-10-18(11-13-19)14-15-6-8-16(21-2)9-7-15/h6-9H,3-5,10-14H2,1-2H3
InChIKeyJGWVLPYPAAZUGM-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.53
Rot. Bonds6

About 1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pentan-1-one

1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pentan-1-one (PubChem CID 110398877) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pentan-1-one
PubChem CID110398877
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C17H26N2O2/c1-3-4-5-17(20)19-12-10-18(11-13-19)14-15-6-8-16(21-2)9-7-15/h6-9H,3-5,10-14H2,1-2H3
InChIKeyJGWVLPYPAAZUGM-UHFFFAOYSA-N
XLogP2.53
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110398874
3-(4-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 25236883
N-[4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-4-oxobutyl]cyclopropanecarboxamide
CID 46483004
2-(4-methoxyphenyl)-1-(4-pentylpiperazin-1-yl)ethanone
CID 113075099
1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110365914
1-ethyl-4-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperazine-2,3-dione
CID 46493015
3-(4-chlorophenoxy)-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 55712977
1-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione
CID 110298179
1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]pentan-1-one
CID 110412296
4-butoxy-N-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 30953662
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
(2S)-2-amino-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 150931787

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pentan-1-one (CID 110398877) is 1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pentan-1-one is CCCCC(=O)N1CCN(Cc2ccc(OC)cc2)CC1.
What is the InChIKey of 1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pentan-1-one?
The InChIKey is JGWVLPYPAAZUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-4-5-17(20)19-12-10-18(11-13-19)14-15-6-8-16(21-2)9-7-15/h6-9H,3-5,10-14H2,1-2H3.
What are the key properties of 1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pentan-1-one?
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pentan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 110398877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).