3-methyl-N-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]butanamide

C16H30N2O2 — CID 17385446

IUPAC3-methyl-N-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]butanamide
SMILESCC(C)CC(=O)NCC1CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C16H30N2O2/c1-12(2)9-15(19)17-11-14-5-7-18(8-6-14)16(20)10-13(3)4/h12-14H,5-11H2,1-4H3,(H,17,19)
InChIKeyYLUXIGZBULEXCS-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.43
Rot. Bonds6

About 3-methyl-N-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]butanamide

3-methyl-N-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]butanamide (PubChem CID 17385446) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-methyl-N-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]butanamide
PubChem CID17385446
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name3-methyl-N-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]butanamide
SMILESCC(C)CC(=O)NCC1CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C16H30N2O2/c1-12(2)9-15(19)17-11-14-5-7-18(8-6-14)16(20)10-13(3)4/h12-14H,5-11H2,1-4H3,(H,17,19)
InChIKeyYLUXIGZBULEXCS-UHFFFAOYSA-N
XLogP2.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]butanamide?
The IUPAC name of 3-methyl-N-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]butanamide (CID 17385446) is 3-methyl-N-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]butanamide.
What is the SMILES notation for 3-methyl-N-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]butanamide?
The canonical SMILES for 3-methyl-N-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]butanamide is CC(C)CC(=O)NCC1CCN(C(=O)CC(C)C)CC1.
What is the InChIKey of 3-methyl-N-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]butanamide?
The InChIKey is YLUXIGZBULEXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12(2)9-15(19)17-11-14-5-7-18(8-6-14)16(20)10-13(3)4/h12-14H,5-11H2,1-4H3,(H,17,19).
What are the key properties of 3-methyl-N-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]butanamide?
3-methyl-N-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]butanamide has a molecular weight of 282.43 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]butanamide is sourced from PubChem (CID 17385446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).