N-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide

C14H23N5O2 — CID 126453543

IUPACN-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide
SMILESCC(C)C(=O)N1CCC[C@@H](CNC(=O)Cn2ccnn2)C1
InChIInChI=1S/C14H23N5O2/c1-11(2)14(21)18-6-3-4-12(9-18)8-15-13(20)10-19-7-5-16-17-19/h5,7,11-12H,3-4,6,8-10H2,1-2H3,(H,15,20)/t12-/m0/s1
InChIKeyNPPBZABRRRAHNJ-LBPRGKRZSA-N
MW293.37 g/mol
LogP0.29
Rot. Bonds5

About N-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide

N-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide (PubChem CID 126453543) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide
PubChem CID126453543
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide
SMILESCC(C)C(=O)N1CCC[C@@H](CNC(=O)Cn2ccnn2)C1
InChIInChI=1S/C14H23N5O2/c1-11(2)14(21)18-6-3-4-12(9-18)8-15-13(20)10-19-7-5-16-17-19/h5,7,11-12H,3-4,6,8-10H2,1-2H3,(H,15,20)/t12-/m0/s1
InChIKeyNPPBZABRRRAHNJ-LBPRGKRZSA-N
XLogP0.29
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-acetylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide
CID 119075119
N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide
CID 118779682
N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide
CID 125178566
N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide
CID 118779238
2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241777
1-[3-(aminomethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 81479505
N-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperidine-1-carboxamide
CID 126423425
N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide
CID 81478292
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 81487187
N-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]methyl]-2-methylpropanamide;hydrochloride
CID 119761592
3-amino-1-[3-(triazol-1-ylmethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 120873415
2-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115348218

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide?
The IUPAC name of N-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide (CID 126453543) is N-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide is CC(C)C(=O)N1CCC[C@@H](CNC(=O)Cn2ccnn2)C1.
What is the InChIKey of N-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide?
The InChIKey is NPPBZABRRRAHNJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-11(2)14(21)18-6-3-4-12(9-18)8-15-13(20)10-19-7-5-16-17-19/h5,7,11-12H,3-4,6,8-10H2,1-2H3,(H,15,20)/t12-/m0/s1.
What are the key properties of N-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide?
N-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide has a molecular weight of 293.37 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 126453543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).