2-(4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide

C20H38N4O — CID 118052258

IUPAC2-(4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide
SMILESCC1CCN(CC(=O)N(CC2CCN(C)CC2)C2CCNCC2)CC1
InChIInChI=1S/C20H38N4O/c1-17-5-13-23(14-6-17)16-20(25)24(19-3-9-21-10-4-19)15-18-7-11-22(2)12-8-18/h17-19,21H,3-16H2,1-2H3
InChIKeyWWIYGZHIDWSNSO-UHFFFAOYSA-N
MW350.55 g/mol
LogP1.64
Rot. Bonds5

About 2-(4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide

2-(4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide (PubChem CID 118052258) has the molecular formula C20H38N4O and a molecular weight of 350.55 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide
PubChem CID118052258
Molecular FormulaC20H38N4O
Molecular Weight350.55 g/mol
Exact Mass350.30
IUPAC Name2-(4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide
SMILESCC1CCN(CC(=O)N(CC2CCN(C)CC2)C2CCNCC2)CC1
InChIInChI=1S/C20H38N4O/c1-17-5-13-23(14-6-17)16-20(25)24(19-3-9-21-10-4-19)15-18-7-11-22(2)12-8-18/h17-19,21H,3-16H2,1-2H3
InChIKeyWWIYGZHIDWSNSO-UHFFFAOYSA-N
XLogP1.64
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-6-(2-methylpropyl)piperazine-2,3-dione
CID 45281051
1-[[1-(2-Ethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281026
(6S)-1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]-6-(2-methylpropyl)piperazine-2,3-dione
CID 51359787
(6S)-6-[(2S)-butan-2-yl]-1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281037
(6S)-6-[(2S)-butan-2-yl]-1-[[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281038
N-(2-methylpropyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propanamide
CID 75386858
(6S)-1-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-6-(2-methylpropyl)piperazine-2,3-dione
CID 51359788
(6S)-1-[[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]methyl]-6-(2-methylpropyl)piperazine-2,3-dione
CID 51359789
2-[4-(Methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethan-1-one
CID 50989053
3,6-Bis(piperidin-1-ylmethyl)piperazine-2,5-dione
CID 320052
4-(1-Methylpiperidine-4-carbonyl)-1-piperidin-4-ylpiperazin-2-one
CID 134789946
N-1-Azabicyclo[2.2.2]oct-3-ylacetamide
CID 5149592

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide (CID 118052258) is 2-(4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide is CC1CCN(CC(=O)N(CC2CCN(C)CC2)C2CCNCC2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide?
The InChIKey is WWIYGZHIDWSNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O/c1-17-5-13-23(14-6-17)16-20(25)24(19-3-9-21-10-4-19)15-18-7-11-22(2)12-8-18/h17-19,21H,3-16H2,1-2H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide?
2-(4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide has a molecular weight of 350.55 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide is sourced from PubChem (CID 118052258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).