1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]-N-(2-hydroxyethyl)-N-methyltriazole-4-carboxamide

C20H29N5O2 — CID 45227883

IUPAC1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]-N-(2-hydroxyethyl)-N-methyltriazole-4-carboxamide
SMILESCCc1ccc(CN2CCCC(n3cc(C(=O)N(C)CCO)nn3)C2)cc1
InChIInChI=1S/C20H29N5O2/c1-3-16-6-8-17(9-7-16)13-24-10-4-5-18(14-24)25-15-19(21-22-25)20(27)23(2)11-12-26/h6-9,15,18,26H,3-5,10-14H2,1-2H3
InChIKeyDWNVGZCCWXGFQX-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.74
Rot. Bonds7

About 1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]-N-(2-hydroxyethyl)-N-methyltriazole-4-carboxamide

1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]-N-(2-hydroxyethyl)-N-methyltriazole-4-carboxamide (PubChem CID 45227883) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]-N-(2-hydroxyethyl)-N-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]-N-(2-hydroxyethyl)-N-methyltriazole-4-carboxamide
PubChem CID45227883
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]-N-(2-hydroxyethyl)-N-methyltriazole-4-carboxamide
SMILESCCc1ccc(CN2CCCC(n3cc(C(=O)N(C)CCO)nn3)C2)cc1
InChIInChI=1S/C20H29N5O2/c1-3-16-6-8-17(9-7-16)13-24-10-4-5-18(14-24)25-15-19(21-22-25)20(27)23(2)11-12-26/h6-9,15,18,26H,3-5,10-14H2,1-2H3
InChIKeyDWNVGZCCWXGFQX-UHFFFAOYSA-N
XLogP1.74
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]-N-(2-hydroxyethyl)-N-methyltriazole-4-carboxamide
CID 42471628
N-(2-hydroxyethyl)-N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45167198
N-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]triazole-4-carboxamide
CID 45166954
1-[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide
CID 26354413
1-[(3R)-1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-N-(2-hydroxyethyl)-N-methyltriazole-4-carboxamide
CID 42397607
methyl 4-[[3-[4-(diethylcarbamoyl)triazol-1-yl]piperidin-1-yl]methyl]benzoate
CID 45244526
N-(3-hydroxypropyl)-1-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26343328
N-(3-hydroxypropyl)-1-[(3S)-1-[(4-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26343330
1-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide
CID 45234972
N-(3-hydroxypropyl)-1-[(3S)-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 28811962
N-(2-hydroxyethyl)-1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45230197
1-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-N,N-diethyltriazole-4-carboxamide
CID 25326216

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]-N-(2-hydroxyethyl)-N-methyltriazole-4-carboxamide?
The IUPAC name of 1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]-N-(2-hydroxyethyl)-N-methyltriazole-4-carboxamide (CID 45227883) is 1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]-N-(2-hydroxyethyl)-N-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]-N-(2-hydroxyethyl)-N-methyltriazole-4-carboxamide?
The canonical SMILES for 1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]-N-(2-hydroxyethyl)-N-methyltriazole-4-carboxamide is CCc1ccc(CN2CCCC(n3cc(C(=O)N(C)CCO)nn3)C2)cc1.
What is the InChIKey of 1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]-N-(2-hydroxyethyl)-N-methyltriazole-4-carboxamide?
The InChIKey is DWNVGZCCWXGFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-3-16-6-8-17(9-7-16)13-24-10-4-5-18(14-24)25-15-19(21-22-25)20(27)23(2)11-12-26/h6-9,15,18,26H,3-5,10-14H2,1-2H3.
What are the key properties of 1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]-N-(2-hydroxyethyl)-N-methyltriazole-4-carboxamide?
1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]-N-(2-hydroxyethyl)-N-methyltriazole-4-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]-N-(2-hydroxyethyl)-N-methyltriazole-4-carboxamide is sourced from PubChem (CID 45227883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).