N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide

C15H29N3O3 — CID 3221021

IUPACN-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide
SMILESCOCCNC(=O)CN1CCC(NC(=O)C(C)(C)C)CC1
InChIInChI=1S/C15H29N3O3/c1-15(2,3)14(20)17-12-5-8-18(9-6-12)11-13(19)16-7-10-21-4/h12H,5-11H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyYADKIFRRZUAAQU-UHFFFAOYSA-N
MW299.42 g/mol
LogP0.38
Rot. Bonds6

About N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide

N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide (PubChem CID 3221021) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide
PubChem CID3221021
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC NameN-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide
SMILESCOCCNC(=O)CN1CCC(NC(=O)C(C)(C)C)CC1
InChIInChI=1S/C15H29N3O3/c1-15(2,3)14(20)17-12-5-8-18(9-6-12)11-13(19)16-7-10-21-4/h12H,5-11H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyYADKIFRRZUAAQU-UHFFFAOYSA-N
XLogP0.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

LM11A-31
CID 18604758
N-(2-methylpropyl)-N'-[3-(morpholin-4-yl)propyl]ethanediamide
CID 3127683
2-amino-3-methyl-N-[2-(morpholin-4-yl)ethyl]pentanamide
CID 11959372
1-Acetyl-N-(2-methoxyethyl)piperidin-4-amine
CID 2761031
(6S)-6-(4-aminobutyl)-1-(2,2-dimethylpropyl)piperazine-2,3-dione
CID 23640882
N-methyl-N'-[3-(morpholin-4-yl)propyl]ethanediamide
CID 3126762
2-Amino-1-(morpholin-4-yl)butan-1-one
CID 22273198
(6R)-6-butyl-1-(2,2-dimethylpropyl)piperazine-2,3-dione
CID 16745935
N-[3-(morpholin-4-yl)propyl]-N'-(propan-2-yl)ethanediamide
CID 2055735
2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide
CID 1540949
N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylpropanamide
CID 53523431
N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 3229463

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide (CID 3221021) is N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide is COCCNC(=O)CN1CCC(NC(=O)C(C)(C)C)CC1.
What is the InChIKey of N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide?
The InChIKey is YADKIFRRZUAAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-15(2,3)14(20)17-12-5-8-18(9-6-12)11-13(19)16-7-10-21-4/h12H,5-11H2,1-4H3,(H,16,19)(H,17,20).
What are the key properties of N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide?
N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide has a molecular weight of 299.42 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 3221021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).