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

C21H38N4O2 — CID 88863296

IUPAC2-(4-ethylpiperidin-1-yl)-N-[(1-formylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide
SMILESCCC1CCN(CC(=O)N(CC2CCN(C=O)CC2)C2CCNCC2)CC1
InChIInChI=1S/C21H38N4O2/c1-2-18-5-11-23(12-6-18)16-21(27)25(20-3-9-22-10-4-20)15-19-7-13-24(17-26)14-8-19/h17-20,22H,2-16H2,1H3
InChIKeySJINBQKQBASNNZ-UHFFFAOYSA-N
MW378.56 g/mol
LogP1.56
Rot. Bonds7

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

2-(4-ethylpiperidin-1-yl)-N-[(1-formylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide (PubChem CID 88863296) has the molecular formula C21H38N4O2 and a molecular weight of 378.56 g/mol. Its IUPAC name is 2-(4-ethylpiperidin-1-yl)-N-[(1-formylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide.

Molecular Properties

Compound Name2-(4-ethylpiperidin-1-yl)-N-[(1-formylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide
PubChem CID88863296
Molecular FormulaC21H38N4O2
Molecular Weight378.56 g/mol
Exact Mass378.30
IUPAC Name2-(4-ethylpiperidin-1-yl)-N-[(1-formylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide
SMILESCCC1CCN(CC(=O)N(CC2CCN(C=O)CC2)C2CCNCC2)CC1
InChIInChI=1S/C21H38N4O2/c1-2-18-5-11-23(12-6-18)16-21(27)25(20-3-9-22-10-4-20)15-19-7-13-24(17-26)14-8-19/h17-20,22H,2-16H2,1H3
InChIKeySJINBQKQBASNNZ-UHFFFAOYSA-N
XLogP1.56
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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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
(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
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
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
2-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 127318912
4-[[1-(3-Amino-1,2-diethyl-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one
CID 123170390
1-[[1-(3-Amino-5-fluoro-1-hexylpiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one
CID 123656788
1-[[1-(3-Amino-5-fluoro-1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one
CID 130280123

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperidin-1-yl)-N-[(1-formylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide?
The IUPAC name of 2-(4-ethylpiperidin-1-yl)-N-[(1-formylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide (CID 88863296) is 2-(4-ethylpiperidin-1-yl)-N-[(1-formylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide.
What is the SMILES notation for 2-(4-ethylpiperidin-1-yl)-N-[(1-formylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide?
The canonical SMILES for 2-(4-ethylpiperidin-1-yl)-N-[(1-formylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide is CCC1CCN(CC(=O)N(CC2CCN(C=O)CC2)C2CCNCC2)CC1.
What is the InChIKey of 2-(4-ethylpiperidin-1-yl)-N-[(1-formylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide?
The InChIKey is SJINBQKQBASNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O2/c1-2-18-5-11-23(12-6-18)16-21(27)25(20-3-9-22-10-4-20)15-19-7-13-24(17-26)14-8-19/h17-20,22H,2-16H2,1H3.
What are the key properties of 2-(4-ethylpiperidin-1-yl)-N-[(1-formylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide?
2-(4-ethylpiperidin-1-yl)-N-[(1-formylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide has a molecular weight of 378.56 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperidin-1-yl)-N-[(1-formylpiperidin-4-yl)methyl]-N-piperidin-4-ylacetamide is sourced from PubChem (CID 88863296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).