N-(1-ethylpiperidin-4-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide

C16H28N6O — CID 95307679

IUPACN-(1-ethylpiperidin-4-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
SMILESCCN1CCC(NC(=O)CN2CCC[C@H]2Cn2cncn2)CC1
InChIInChI=1S/C16H28N6O/c1-2-20-8-5-14(6-9-20)19-16(23)11-21-7-3-4-15(21)10-22-13-17-12-18-22/h12-15H,2-11H2,1H3,(H,19,23)/t15-/m0/s1
InChIKeyAYYPGJVPMCYGTD-HNNXBMFYSA-N
MW320.44 g/mol
LogP0.34
Rot. Bonds6

About N-(1-ethylpiperidin-4-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide

N-(1-ethylpiperidin-4-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide (PubChem CID 95307679) has the molecular formula C16H28N6O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
PubChem CID95307679
Molecular FormulaC16H28N6O
Molecular Weight320.44 g/mol
Exact Mass320.23
IUPAC NameN-(1-ethylpiperidin-4-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
SMILESCCN1CCC(NC(=O)CN2CCC[C@H]2Cn2cncn2)CC1
InChIInChI=1S/C16H28N6O/c1-2-20-8-5-14(6-9-20)19-16(23)11-21-7-3-4-15(21)10-22-13-17-12-18-22/h12-15H,2-11H2,1H3,(H,19,23)/t15-/m0/s1
InChIKeyAYYPGJVPMCYGTD-HNNXBMFYSA-N
XLogP0.34
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-acetamidoethyl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95978835
N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 95304967
N-[(3S)-1-[2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide
CID 95609973
N-[(1R)-1-thiophen-2-ylethyl]-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 129429028
N,N-diethyl-3-[[2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 146125332
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95979170
1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 98763927
1-[[(2S)-1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methyl]-1,2,4-triazole
CID 95333088
N-(3-cyanothiophen-2-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 95289284
N-(1,3-thiazol-2-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95323473
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 56802705
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95609860

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide (CID 95307679) is N-(1-ethylpiperidin-4-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide is CCN1CCC(NC(=O)CN2CCC[C@H]2Cn2cncn2)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is AYYPGJVPMCYGTD-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H28N6O/c1-2-20-8-5-14(6-9-20)19-16(23)11-21-7-3-4-15(21)10-22-13-17-12-18-22/h12-15H,2-11H2,1H3,(H,19,23)/t15-/m0/s1.
What are the key properties of N-(1-ethylpiperidin-4-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
N-(1-ethylpiperidin-4-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 320.44 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 95307679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).