N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)-4-oxobutanamide

C19H35N3O3 — CID 4102327

IUPACN-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)-4-oxobutanamide
SMILESCOCCN(C(=O)CCC(=O)N1CCC(C)CC1)C1CCN(C)CC1
InChIInChI=1S/C19H35N3O3/c1-16-6-12-21(13-7-16)18(23)4-5-19(24)22(14-15-25-3)17-8-10-20(2)11-9-17/h16-17H,4-15H2,1-3H3
InChIKeyBEFGSKDVWVDSJZ-UHFFFAOYSA-N
MW353.51 g/mol
LogP1.59
Rot. Bonds7

About N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)-4-oxobutanamide

N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)-4-oxobutanamide (PubChem CID 4102327) has the molecular formula C19H35N3O3 and a molecular weight of 353.51 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)-4-oxobutanamide
PubChem CID4102327
Molecular FormulaC19H35N3O3
Molecular Weight353.51 g/mol
Exact Mass353.27
IUPAC NameN-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)-4-oxobutanamide
SMILESCOCCN(C(=O)CCC(=O)N1CCC(C)CC1)C1CCN(C)CC1
InChIInChI=1S/C19H35N3O3/c1-16-6-12-21(13-7-16)18(23)4-5-19(24)22(14-15-25-3)17-8-10-20(2)11-9-17/h16-17H,4-15H2,1-3H3
InChIKeyBEFGSKDVWVDSJZ-UHFFFAOYSA-N
XLogP1.59
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)-4-oxobutanamide?
The IUPAC name of N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)-4-oxobutanamide (CID 4102327) is N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)-4-oxobutanamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)-4-oxobutanamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)-4-oxobutanamide is COCCN(C(=O)CCC(=O)N1CCC(C)CC1)C1CCN(C)CC1.
What is the InChIKey of N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)-4-oxobutanamide?
The InChIKey is BEFGSKDVWVDSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O3/c1-16-6-12-21(13-7-16)18(23)4-5-19(24)22(14-15-25-3)17-8-10-20(2)11-9-17/h16-17H,4-15H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)-4-oxobutanamide?
N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)-4-oxobutanamide has a molecular weight of 353.51 g/mol, XLogP of 1.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)-4-oxobutanamide is sourced from PubChem (CID 4102327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).