3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide

C16H31N3O2 — CID 120577674

IUPAC3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide
SMILESCC(C)CC(=O)NC(C(=O)NC1CCCNC1C)C(C)C
InChIInChI=1S/C16H31N3O2/c1-10(2)9-14(20)19-15(11(3)4)16(21)18-13-7-6-8-17-12(13)5/h10-13,15,17H,6-9H2,1-5H3,(H,18,21)(H,19,20)
InChIKeyUJNSZZPHJQRYRM-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.43
Rot. Bonds6

About 3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide

3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide (PubChem CID 120577674) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide.

Molecular Properties

Compound Name3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide
PubChem CID120577674
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide
SMILESCC(C)CC(=O)NC(C(=O)NC1CCCNC1C)C(C)C
InChIInChI=1S/C16H31N3O2/c1-10(2)9-14(20)19-15(11(3)4)16(21)18-13-7-6-8-17-12(13)5/h10-13,15,17H,6-9H2,1-5H3,(H,18,21)(H,19,20)
InChIKeyUJNSZZPHJQRYRM-UHFFFAOYSA-N
XLogP1.43
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide?
The IUPAC name of 3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide (CID 120577674) is 3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide.
What is the SMILES notation for 3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide?
The canonical SMILES for 3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide is CC(C)CC(=O)NC(C(=O)NC1CCCNC1C)C(C)C.
What is the InChIKey of 3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide?
The InChIKey is UJNSZZPHJQRYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-10(2)9-14(20)19-15(11(3)4)16(21)18-13-7-6-8-17-12(13)5/h10-13,15,17H,6-9H2,1-5H3,(H,18,21)(H,19,20).
What are the key properties of 3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide?
3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide has a molecular weight of 297.44 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide is sourced from PubChem (CID 120577674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).