N-methyl-N-(thiophen-3-ylmethyl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide

C16H23N5OS — CID 95609839

IUPACN-methyl-N-(thiophen-3-ylmethyl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESCN(Cc1ccsc1)C(=O)CN1CCCC[C@H]1Cn1cncn1
InChIInChI=1S/C16H23N5OS/c1-19(8-14-5-7-23-11-14)16(22)10-20-6-3-2-4-15(20)9-21-13-17-12-18-21/h5,7,11-13,15H,2-4,6,8-10H2,1H3/t15-/m0/s1
InChIKeyKQTHGDXKMOLDOF-HNNXBMFYSA-N
MW333.46 g/mol
LogP1.85
Rot. Bonds6

About N-methyl-N-(thiophen-3-ylmethyl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide

N-methyl-N-(thiophen-3-ylmethyl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide (PubChem CID 95609839) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is N-methyl-N-(thiophen-3-ylmethyl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-(thiophen-3-ylmethyl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
PubChem CID95609839
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC NameN-methyl-N-(thiophen-3-ylmethyl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESCN(Cc1ccsc1)C(=O)CN1CCCC[C@H]1Cn1cncn1
InChIInChI=1S/C16H23N5OS/c1-19(8-14-5-7-23-11-14)16(22)10-20-6-3-2-4-15(20)9-21-13-17-12-18-21/h5,7,11-13,15H,2-4,6,8-10H2,1H3/t15-/m0/s1
InChIKeyKQTHGDXKMOLDOF-HNNXBMFYSA-N
XLogP1.85
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(thiophen-3-ylmethyl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-methyl-N-(thiophen-3-ylmethyl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide (CID 95609839) is N-methyl-N-(thiophen-3-ylmethyl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-N-(thiophen-3-ylmethyl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-methyl-N-(thiophen-3-ylmethyl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide is CN(Cc1ccsc1)C(=O)CN1CCCC[C@H]1Cn1cncn1.
What is the InChIKey of N-methyl-N-(thiophen-3-ylmethyl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The InChIKey is KQTHGDXKMOLDOF-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-19(8-14-5-7-23-11-14)16(22)10-20-6-3-2-4-15(20)9-21-13-17-12-18-21/h5,7,11-13,15H,2-4,6,8-10H2,1H3/t15-/m0/s1.
What are the key properties of N-methyl-N-(thiophen-3-ylmethyl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
N-methyl-N-(thiophen-3-ylmethyl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide has a molecular weight of 333.46 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(thiophen-3-ylmethyl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 95609839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).