N-(1-ethylpiperidin-4-yl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide

C18H25N5O2S — CID 34871973

IUPACN-(1-ethylpiperidin-4-yl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCN1CCC(NC(=O)CSc2n[nH]c(-c3ccc(OC)cc3)n2)CC1
InChIInChI=1S/C18H25N5O2S/c1-3-23-10-8-14(9-11-23)19-16(24)12-26-18-20-17(21-22-18)13-4-6-15(25-2)7-5-13/h4-7,14H,3,8-12H2,1-2H3,(H,19,24)(H,20,21,22)
InChIKeyNBGPRMWQPSXEKY-UHFFFAOYSA-N
MW375.50 g/mol
LogP2.17
Rot. Bonds7

About N-(1-ethylpiperidin-4-yl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-(1-ethylpiperidin-4-yl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 34871973) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID34871973
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC NameN-(1-ethylpiperidin-4-yl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCN1CCC(NC(=O)CSc2n[nH]c(-c3ccc(OC)cc3)n2)CC1
InChIInChI=1S/C18H25N5O2S/c1-3-23-10-8-14(9-11-23)19-16(24)12-26-18-20-17(21-22-18)13-4-6-15(25-2)7-5-13/h4-7,14H,3,8-12H2,1-2H3,(H,19,24)(H,20,21,22)
InChIKeyNBGPRMWQPSXEKY-UHFFFAOYSA-N
XLogP2.17
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 34871973) is N-(1-ethylpiperidin-4-yl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide is CCN1CCC(NC(=O)CSc2n[nH]c(-c3ccc(OC)cc3)n2)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is NBGPRMWQPSXEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-3-23-10-8-14(9-11-23)19-16(24)12-26-18-20-17(21-22-18)13-4-6-15(25-2)7-5-13/h4-7,14H,3,8-12H2,1-2H3,(H,19,24)(H,20,21,22).
What are the key properties of N-(1-ethylpiperidin-4-yl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-(1-ethylpiperidin-4-yl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 375.50 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 34871973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).