N-[(2S)-1-[4-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]acetamide

C16H27N5O3 — CID 46990336

IUPACN-[(2S)-1-[4-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]acetamide
SMILESCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC(n2cc(CO)nn2)CC1
InChIInChI=1S/C16H27N5O3/c1-11(2)8-15(17-12(3)23)16(24)20-6-4-14(5-7-20)21-9-13(10-22)18-19-21/h9,11,14-15,22H,4-8,10H2,1-3H3,(H,17,23)/t15-/m0/s1
InChIKeyHYQSKLOSEHYTQV-HNNXBMFYSA-N
MW337.42 g/mol
LogP0.48
Rot. Bonds6

About N-[(2S)-1-[4-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]acetamide

N-[(2S)-1-[4-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]acetamide (PubChem CID 46990336) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[(2S)-1-[4-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]acetamide
PubChem CID46990336
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC NameN-[(2S)-1-[4-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]acetamide
SMILESCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC(n2cc(CO)nn2)CC1
InChIInChI=1S/C16H27N5O3/c1-11(2)8-15(17-12(3)23)16(24)20-6-4-14(5-7-20)21-9-13(10-22)18-19-21/h9,11,14-15,22H,4-8,10H2,1-3H3,(H,17,23)/t15-/m0/s1
InChIKeyHYQSKLOSEHYTQV-HNNXBMFYSA-N
XLogP0.48
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[4-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]acetamide (CID 46990336) is N-[(2S)-1-[4-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[4-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[4-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]acetamide is CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC(n2cc(CO)nn2)CC1.
What is the InChIKey of N-[(2S)-1-[4-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]acetamide?
The InChIKey is HYQSKLOSEHYTQV-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H27N5O3/c1-11(2)8-15(17-12(3)23)16(24)20-6-4-14(5-7-20)21-9-13(10-22)18-19-21/h9,11,14-15,22H,4-8,10H2,1-3H3,(H,17,23)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-[4-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]acetamide?
N-[(2S)-1-[4-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]acetamide has a molecular weight of 337.42 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]acetamide is sourced from PubChem (CID 46990336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).