2-[(2S)-1-methylpiperidin-2-yl]-N-[2-(2H-triazol-4-yl)ethyl]acetamide

C12H21N5O — CID 126449965

IUPAC2-[(2S)-1-methylpiperidin-2-yl]-N-[2-(2H-triazol-4-yl)ethyl]acetamide
SMILESCN1CCCC[C@H]1CC(=O)NCCc1cn[nH]n1
InChIInChI=1S/C12H21N5O/c1-17-7-3-2-4-11(17)8-12(18)13-6-5-10-9-14-16-15-10/h9,11H,2-8H2,1H3,(H,13,18)(H,14,15,16)/t11-/m0/s1
InChIKeyXYDNYWAFRRXBBE-NSHDSACASA-N
MW251.33 g/mol
LogP0.34
Rot. Bonds5

About 2-[(2S)-1-methylpiperidin-2-yl]-N-[2-(2H-triazol-4-yl)ethyl]acetamide

2-[(2S)-1-methylpiperidin-2-yl]-N-[2-(2H-triazol-4-yl)ethyl]acetamide (PubChem CID 126449965) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(2S)-1-methylpiperidin-2-yl]-N-[2-(2H-triazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-1-methylpiperidin-2-yl]-N-[2-(2H-triazol-4-yl)ethyl]acetamide
PubChem CID126449965
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[(2S)-1-methylpiperidin-2-yl]-N-[2-(2H-triazol-4-yl)ethyl]acetamide
SMILESCN1CCCC[C@H]1CC(=O)NCCc1cn[nH]n1
InChIInChI=1S/C12H21N5O/c1-17-7-3-2-4-11(17)8-12(18)13-6-5-10-9-14-16-15-10/h9,11H,2-8H2,1H3,(H,13,18)(H,14,15,16)/t11-/m0/s1
InChIKeyXYDNYWAFRRXBBE-NSHDSACASA-N
XLogP0.34
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-1-methylpiperidin-2-yl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 51599887
2-(1-methylpyrrolidin-2-yl)-N-[2-(pyridin-3-ylamino)ethyl]acetamide
CID 74233941
N-[(4-methylphenyl)methyl]-2-(1-methylpiperidin-2-yl)acetamide
CID 110850894
2-(1-methylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 110851953
N-(2-aminopropyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110834402
N-(2,6-dimethylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110857550
2-(1-methylpiperazin-2-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 115178439
3-(1-methylpiperidin-2-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide
CID 72885704
2-(1-methylpiperidin-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide
CID 122565628
2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(2H-triazol-4-yl)ethyl]acetamide
CID 126434045
N-tert-butyl-2-(1-methylpiperidin-2-yl)acetamide
CID 110855384
N-(4-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110856796

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-methylpiperidin-2-yl]-N-[2-(2H-triazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-[(2S)-1-methylpiperidin-2-yl]-N-[2-(2H-triazol-4-yl)ethyl]acetamide (CID 126449965) is 2-[(2S)-1-methylpiperidin-2-yl]-N-[2-(2H-triazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(2S)-1-methylpiperidin-2-yl]-N-[2-(2H-triazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-[(2S)-1-methylpiperidin-2-yl]-N-[2-(2H-triazol-4-yl)ethyl]acetamide is CN1CCCC[C@H]1CC(=O)NCCc1cn[nH]n1.
What is the InChIKey of 2-[(2S)-1-methylpiperidin-2-yl]-N-[2-(2H-triazol-4-yl)ethyl]acetamide?
The InChIKey is XYDNYWAFRRXBBE-NSHDSACASA-N. The full InChI is InChI=1S/C12H21N5O/c1-17-7-3-2-4-11(17)8-12(18)13-6-5-10-9-14-16-15-10/h9,11H,2-8H2,1H3,(H,13,18)(H,14,15,16)/t11-/m0/s1.
What are the key properties of 2-[(2S)-1-methylpiperidin-2-yl]-N-[2-(2H-triazol-4-yl)ethyl]acetamide?
2-[(2S)-1-methylpiperidin-2-yl]-N-[2-(2H-triazol-4-yl)ethyl]acetamide has a molecular weight of 251.33 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-methylpiperidin-2-yl]-N-[2-(2H-triazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 126449965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).