N-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide

C17H33N3O3 — CID 3221022

IUPACN-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide
SMILESCCOCCCNC(=O)CN1CCC(NC(=O)C(C)(C)C)CC1
InChIInChI=1S/C17H33N3O3/c1-5-23-12-6-9-18-15(21)13-20-10-7-14(8-11-20)19-16(22)17(2,3)4/h14H,5-13H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyWWPGOPHYCXZVPM-UHFFFAOYSA-N
MW327.47 g/mol
LogP1.16
Rot. Bonds8

About N-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide

N-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide (PubChem CID 3221022) has the molecular formula C17H33N3O3 and a molecular weight of 327.47 g/mol. Its IUPAC name is N-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide
PubChem CID3221022
Molecular FormulaC17H33N3O3
Molecular Weight327.47 g/mol
Exact Mass327.25
IUPAC NameN-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide
SMILESCCOCCCNC(=O)CN1CCC(NC(=O)C(C)(C)C)CC1
InChIInChI=1S/C17H33N3O3/c1-5-23-12-6-9-18-15(21)13-20-10-7-14(8-11-20)19-16(22)17(2,3)4/h14H,5-13H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyWWPGOPHYCXZVPM-UHFFFAOYSA-N
XLogP1.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 51.16
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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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide (CID 3221022) is N-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide is CCOCCCNC(=O)CN1CCC(NC(=O)C(C)(C)C)CC1.
What is the InChIKey of N-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide?
The InChIKey is WWPGOPHYCXZVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O3/c1-5-23-12-6-9-18-15(21)13-20-10-7-14(8-11-20)19-16(22)17(2,3)4/h14H,5-13H2,1-4H3,(H,18,21)(H,19,22).
What are the key properties of N-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide?
N-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide has a molecular weight of 327.47 g/mol, XLogP of 1.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 3221022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).