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

C19H35N3O4 — CID 42845391

IUPACN-[1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-3-methylbutanamide
SMILESCOCC(=O)N1CCC(C(NC(=O)CC(C)C)C(=O)NCC(C)C)CC1
InChIInChI=1S/C19H35N3O4/c1-13(2)10-16(23)21-18(19(25)20-11-14(3)4)15-6-8-22(9-7-15)17(24)12-26-5/h13-15,18H,6-12H2,1-5H3,(H,20,25)(H,21,23)
InChIKeyUZRUUNQHCVQGEF-UHFFFAOYSA-N
MW369.51 g/mol
LogP1.17
Rot. Bonds9

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

N-[1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-3-methylbutanamide (PubChem CID 42845391) has the molecular formula C19H35N3O4 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-3-methylbutanamide
PubChem CID42845391
Molecular FormulaC19H35N3O4
Molecular Weight369.51 g/mol
Exact Mass369.26
IUPAC NameN-[1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-3-methylbutanamide
SMILESCOCC(=O)N1CCC(C(NC(=O)CC(C)C)C(=O)NCC(C)C)CC1
InChIInChI=1S/C19H35N3O4/c1-13(2)10-16(23)21-18(19(25)20-11-14(3)4)15-6-8-22(9-7-15)17(24)12-26-5/h13-15,18H,6-12H2,1-5H3,(H,20,25)(H,21,23)
InChIKeyUZRUUNQHCVQGEF-UHFFFAOYSA-N
XLogP1.17
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of N-[1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-3-methylbutanamide (CID 42845391) is N-[1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for N-[1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for N-[1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-3-methylbutanamide is COCC(=O)N1CCC(C(NC(=O)CC(C)C)C(=O)NCC(C)C)CC1.
What is the InChIKey of N-[1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-3-methylbutanamide?
The InChIKey is UZRUUNQHCVQGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O4/c1-13(2)10-16(23)21-18(19(25)20-11-14(3)4)15-6-8-22(9-7-15)17(24)12-26-5/h13-15,18H,6-12H2,1-5H3,(H,20,25)(H,21,23).
What are the key properties of N-[1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-3-methylbutanamide?
N-[1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-3-methylbutanamide has a molecular weight of 369.51 g/mol, XLogP of 1.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 42845391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).