4-[[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]benzamide

C20H30N4O2 — CID 55566365

IUPAC4-[[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]benzamide
SMILESCC1CCCCN1C(=O)CN1CCN(Cc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C20H30N4O2/c1-16-4-2-3-9-24(16)19(25)15-23-12-10-22(11-13-23)14-17-5-7-18(8-6-17)20(21)26/h5-8,16H,2-4,9-15H2,1H3,(H2,21,26)
InChIKeyNUHSUZXZSXWGRW-UHFFFAOYSA-N
MW358.49 g/mol
LogP1.30
Rot. Bonds5

About 4-[[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]benzamide

4-[[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]benzamide (PubChem CID 55566365) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 4-[[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]benzamide
PubChem CID55566365
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name4-[[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]benzamide
SMILESCC1CCCCN1C(=O)CN1CCN(Cc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C20H30N4O2/c1-16-4-2-3-9-24(16)19(25)15-23-12-10-22(11-13-23)14-17-5-7-18(8-6-17)20(21)26/h5-8,16H,2-4,9-15H2,1H3,(H2,21,26)
InChIKeyNUHSUZXZSXWGRW-UHFFFAOYSA-N
XLogP1.30
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-methylpiperidin-1-yl]-2-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]ethanone
CID 36904859
4-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-nitrobenzamide
CID 42949556
2-[4-(2-chloroprop-2-enyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 134001219
ethyl 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetate
CID 134055468
2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 120898377
4-[[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]methyl]benzamide
CID 34710306
2-(4-aminopiperidin-1-yl)-1-(2-methylazepan-1-yl)ethanone
CID 79328192
4-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]benzamide
CID 34429507
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(4-benzylpiperazin-1-yl)ethanone
CID 124689394
2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 79410340
2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 37158782
2-[(1S,2R)-2-hydroxycyclohexyl]-1-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]ethanone
CID 124881787

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]benzamide (CID 55566365) is 4-[[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]benzamide is CC1CCCCN1C(=O)CN1CCN(Cc2ccc(C(N)=O)cc2)CC1.
What is the InChIKey of 4-[[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]benzamide?
The InChIKey is NUHSUZXZSXWGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-16-4-2-3-9-24(16)19(25)15-23-12-10-22(11-13-23)14-17-5-7-18(8-6-17)20(21)26/h5-8,16H,2-4,9-15H2,1H3,(H2,21,26).
What are the key properties of 4-[[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]benzamide?
4-[[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]benzamide has a molecular weight of 358.49 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 55566365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).