N-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]-2-(triazol-1-yl)acetamide

C15H27N5O — CID 126437543

IUPACN-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]-2-(triazol-1-yl)acetamide
SMILESCC(C)CN1CCCC[C@H]1CCNC(=O)Cn1ccnn1
InChIInChI=1S/C15H27N5O/c1-13(2)11-19-9-4-3-5-14(19)6-7-16-15(21)12-20-10-8-17-18-20/h8,10,13-14H,3-7,9,11-12H2,1-2H3,(H,16,21)/t14-/m0/s1
InChIKeyZXPZYHGKFVVQHF-AWEZNQCLSA-N
MW293.41 g/mol
LogP1.29
Rot. Bonds7

About N-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]-2-(triazol-1-yl)acetamide

N-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]-2-(triazol-1-yl)acetamide (PubChem CID 126437543) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]-2-(triazol-1-yl)acetamide
PubChem CID126437543
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC NameN-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]-2-(triazol-1-yl)acetamide
SMILESCC(C)CN1CCCC[C@H]1CCNC(=O)Cn1ccnn1
InChIInChI=1S/C15H27N5O/c1-13(2)11-19-9-4-3-5-14(19)6-7-16-15(21)12-20-10-8-17-18-20/h8,10,13-14H,3-7,9,11-12H2,1-2H3,(H,16,21)/t14-/m0/s1
InChIKeyZXPZYHGKFVVQHF-AWEZNQCLSA-N
XLogP1.29
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2R)-1-(2-methylpropyl)piperidin-2-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 125156899
3,5-dimethyl-N-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]imidazole-4-carboxamide
CID 125177821
N-propan-2-yl-2-(triazol-1-yl)acetamide
CID 79807214
N-[2-(2-hydroxypropylamino)ethyl]-2-(triazol-1-yl)acetamide
CID 104593436
2-[1-(2-methylpropyl)piperidin-2-yl]ethanol
CID 62021194
N-cycloheptyl-2-(triazol-1-yl)acetamide
CID 154733961
N-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide
CID 126453543
N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide
CID 118779682
N-[(1-acetylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide
CID 119075119
1-methyl-3-[2-[(2R)-1-(2-methylpropyl)piperidin-2-yl]ethyl]-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea
CID 126449363
(2S)-2-hydroxy-4-[[2-(triazol-1-yl)acetyl]amino]butanoic acid
CID 107834964
1-[1-(2-methylpropyl)piperidin-2-yl]propan-2-one
CID 79537849

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]-2-(triazol-1-yl)acetamide?
The IUPAC name of N-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]-2-(triazol-1-yl)acetamide (CID 126437543) is N-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]-2-(triazol-1-yl)acetamide is CC(C)CN1CCCC[C@H]1CCNC(=O)Cn1ccnn1.
What is the InChIKey of N-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]-2-(triazol-1-yl)acetamide?
The InChIKey is ZXPZYHGKFVVQHF-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H27N5O/c1-13(2)11-19-9-4-3-5-14(19)6-7-16-15(21)12-20-10-8-17-18-20/h8,10,13-14H,3-7,9,11-12H2,1-2H3,(H,16,21)/t14-/m0/s1.
What are the key properties of N-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]-2-(triazol-1-yl)acetamide?
N-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]-2-(triazol-1-yl)acetamide has a molecular weight of 293.41 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 126437543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).