N-(5-chloro-2-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide

C21H24ClN5O2 — CID 653943

IUPACN-(5-chloro-2-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN1CCC(n2nnc3cc(C)ccc32)CC1
InChIInChI=1S/C21H24ClN5O2/c1-14-3-5-19-17(11-14)24-25-27(19)16-7-9-26(10-8-16)13-21(28)23-18-12-15(22)4-6-20(18)29-2/h3-6,11-12,16H,7-10,13H2,1-2H3,(H,23,28)
InChIKeyQBOHAJHTRCNTCQ-UHFFFAOYSA-N
MW413.91 g/mol
LogP3.68
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide (PubChem CID 653943) has the molecular formula C21H24ClN5O2 and a molecular weight of 413.91 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide
PubChem CID653943
Molecular FormulaC21H24ClN5O2
Molecular Weight413.91 g/mol
Exact Mass413.16
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN1CCC(n2nnc3cc(C)ccc32)CC1
InChIInChI=1S/C21H24ClN5O2/c1-14-3-5-19-17(11-14)24-25-27(19)16-7-9-26(10-8-16)13-21(28)23-18-12-15(22)4-6-20(18)29-2/h3-6,11-12,16H,7-10,13H2,1-2H3,(H,23,28)
InChIKeyQBOHAJHTRCNTCQ-UHFFFAOYSA-N
XLogP3.68
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide (CID 653943) is N-(5-chloro-2-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide is COc1ccc(Cl)cc1NC(=O)CN1CCC(n2nnc3cc(C)ccc32)CC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide?
The InChIKey is QBOHAJHTRCNTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O2/c1-14-3-5-19-17(11-14)24-25-27(19)16-7-9-26(10-8-16)13-21(28)23-18-12-15(22)4-6-20(18)29-2/h3-6,11-12,16H,7-10,13H2,1-2H3,(H,23,28).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide has a molecular weight of 413.91 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 653943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).