N-benzyl-N-ethyl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide

C19H27N5O — CID 56780608

IUPACN-benzyl-N-ethyl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESCCN(Cc1ccccc1)C(=O)CN1CCCCC1Cn1cncn1
InChIInChI=1S/C19H27N5O/c1-2-22(12-17-8-4-3-5-9-17)19(25)14-23-11-7-6-10-18(23)13-24-16-20-15-21-24/h3-5,8-9,15-16,18H,2,6-7,10-14H2,1H3
InChIKeyJBWMOJNFFLDMKV-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.18
Rot. Bonds7

About N-benzyl-N-ethyl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide

N-benzyl-N-ethyl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide (PubChem CID 56780608) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
PubChem CID56780608
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-benzyl-N-ethyl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESCCN(Cc1ccccc1)C(=O)CN1CCCCC1Cn1cncn1
InChIInChI=1S/C19H27N5O/c1-2-22(12-17-8-4-3-5-9-17)19(25)14-23-11-7-6-10-18(23)13-24-16-20-15-21-24/h3-5,8-9,15-16,18H,2,6-7,10-14H2,1H3
InChIKeyJBWMOJNFFLDMKV-UHFFFAOYSA-N
XLogP2.18
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide (CID 56780608) is N-benzyl-N-ethyl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide is CCN(Cc1ccccc1)C(=O)CN1CCCCC1Cn1cncn1.
What is the InChIKey of N-benzyl-N-ethyl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The InChIKey is JBWMOJNFFLDMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-2-22(12-17-8-4-3-5-9-17)19(25)14-23-11-7-6-10-18(23)13-24-16-20-15-21-24/h3-5,8-9,15-16,18H,2,6-7,10-14H2,1H3.
What are the key properties of N-benzyl-N-ethyl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
N-benzyl-N-ethyl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide has a molecular weight of 341.46 g/mol, XLogP of 2.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 56780608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).