2-cyclopropyl-N-[[1-[(2S)-2-hydroxy-3-methylbutanoyl]piperidin-4-yl]methyl]acetamide

C16H28N2O3 — CID 164636234

IUPAC2-cyclopropyl-N-[[1-[(2S)-2-hydroxy-3-methylbutanoyl]piperidin-4-yl]methyl]acetamide
SMILESCC(C)[C@H](O)C(=O)N1CCC(CNC(=O)CC2CC2)CC1
InChIInChI=1S/C16H28N2O3/c1-11(2)15(20)16(21)18-7-5-13(6-8-18)10-17-14(19)9-12-3-4-12/h11-13,15,20H,3-10H2,1-2H3,(H,17,19)/t15-/m0/s1
InChIKeySVFUOYMEAMUJGF-HNNXBMFYSA-N
MW296.41 g/mol
LogP1.16
Rot. Bonds6

About 2-cyclopropyl-N-[[1-[(2S)-2-hydroxy-3-methylbutanoyl]piperidin-4-yl]methyl]acetamide

2-cyclopropyl-N-[[1-[(2S)-2-hydroxy-3-methylbutanoyl]piperidin-4-yl]methyl]acetamide (PubChem CID 164636234) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[1-[(2S)-2-hydroxy-3-methylbutanoyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[[1-[(2S)-2-hydroxy-3-methylbutanoyl]piperidin-4-yl]methyl]acetamide
PubChem CID164636234
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-cyclopropyl-N-[[1-[(2S)-2-hydroxy-3-methylbutanoyl]piperidin-4-yl]methyl]acetamide
SMILESCC(C)[C@H](O)C(=O)N1CCC(CNC(=O)CC2CC2)CC1
InChIInChI=1S/C16H28N2O3/c1-11(2)15(20)16(21)18-7-5-13(6-8-18)10-17-14(19)9-12-3-4-12/h11-13,15,20H,3-10H2,1-2H3,(H,17,19)/t15-/m0/s1
InChIKeySVFUOYMEAMUJGF-HNNXBMFYSA-N
XLogP1.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[1-[(2S)-2-hydroxy-3-methylbutanoyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[[1-[(2S)-2-hydroxy-3-methylbutanoyl]piperidin-4-yl]methyl]acetamide (CID 164636234) is 2-cyclopropyl-N-[[1-[(2S)-2-hydroxy-3-methylbutanoyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[[1-[(2S)-2-hydroxy-3-methylbutanoyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[[1-[(2S)-2-hydroxy-3-methylbutanoyl]piperidin-4-yl]methyl]acetamide is CC(C)[C@H](O)C(=O)N1CCC(CNC(=O)CC2CC2)CC1.
What is the InChIKey of 2-cyclopropyl-N-[[1-[(2S)-2-hydroxy-3-methylbutanoyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is SVFUOYMEAMUJGF-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-11(2)15(20)16(21)18-7-5-13(6-8-18)10-17-14(19)9-12-3-4-12/h11-13,15,20H,3-10H2,1-2H3,(H,17,19)/t15-/m0/s1.
What are the key properties of 2-cyclopropyl-N-[[1-[(2S)-2-hydroxy-3-methylbutanoyl]piperidin-4-yl]methyl]acetamide?
2-cyclopropyl-N-[[1-[(2S)-2-hydroxy-3-methylbutanoyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 296.41 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[1-[(2S)-2-hydroxy-3-methylbutanoyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 164636234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).