N-[2-(diethylamino)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide

C19H35N3O4 — CID 46032231

IUPACN-[2-(diethylamino)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide
SMILESCCN(CC)C(=O)C(NC(=O)CC(C)C)C1CCN(C(=O)COC)CC1
InChIInChI=1S/C19H35N3O4/c1-6-21(7-2)19(25)18(20-16(23)12-14(3)4)15-8-10-22(11-9-15)17(24)13-26-5/h14-15,18H,6-13H2,1-5H3,(H,20,23)
InChIKeyLKMASVDXRGASCI-UHFFFAOYSA-N
MW369.51 g/mol
LogP1.27
Rot. Bonds9

About N-[2-(diethylamino)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide

N-[2-(diethylamino)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide (PubChem CID 46032231) has the molecular formula C19H35N3O4 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[2-(diethylamino)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide
PubChem CID46032231
Molecular FormulaC19H35N3O4
Molecular Weight369.51 g/mol
Exact Mass369.26
IUPAC NameN-[2-(diethylamino)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide
SMILESCCN(CC)C(=O)C(NC(=O)CC(C)C)C1CCN(C(=O)COC)CC1
InChIInChI=1S/C19H35N3O4/c1-6-21(7-2)19(25)18(20-16(23)12-14(3)4)15-8-10-22(11-9-15)17(24)13-26-5/h14-15,18H,6-13H2,1-5H3,(H,20,23)
InChIKeyLKMASVDXRGASCI-UHFFFAOYSA-N
XLogP1.27
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(diethylamino)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide (CID 46032231) is N-[2-(diethylamino)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(diethylamino)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(diethylamino)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide is CCN(CC)C(=O)C(NC(=O)CC(C)C)C1CCN(C(=O)COC)CC1.
What is the InChIKey of N-[2-(diethylamino)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide?
The InChIKey is LKMASVDXRGASCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O4/c1-6-21(7-2)19(25)18(20-16(23)12-14(3)4)15-8-10-22(11-9-15)17(24)13-26-5/h14-15,18H,6-13H2,1-5H3,(H,20,23).
What are the key properties of N-[2-(diethylamino)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide?
N-[2-(diethylamino)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide has a molecular weight of 369.51 g/mol, XLogP of 1.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 46032231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).