1-[3-(4-ethoxyphenyl)-5-methyltriazole-4-carbonyl]piperidine-4-carboxamide

C18H23N5O3 — CID 23612625

IUPAC1-[3-(4-ethoxyphenyl)-5-methyltriazole-4-carbonyl]piperidine-4-carboxamide
SMILESCCOc1ccc(-n2nnc(C)c2C(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C18H23N5O3/c1-3-26-15-6-4-14(5-7-15)23-16(12(2)20-21-23)18(25)22-10-8-13(9-11-22)17(19)24/h4-7,13H,3,8-11H2,1-2H3,(H2,19,24)
InChIKeyWEBJANHZNBRJKX-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.31
Rot. Bonds5

About 1-[3-(4-ethoxyphenyl)-5-methyltriazole-4-carbonyl]piperidine-4-carboxamide

1-[3-(4-ethoxyphenyl)-5-methyltriazole-4-carbonyl]piperidine-4-carboxamide (PubChem CID 23612625) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-[3-(4-ethoxyphenyl)-5-methyltriazole-4-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(4-ethoxyphenyl)-5-methyltriazole-4-carbonyl]piperidine-4-carboxamide
PubChem CID23612625
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name1-[3-(4-ethoxyphenyl)-5-methyltriazole-4-carbonyl]piperidine-4-carboxamide
SMILESCCOc1ccc(-n2nnc(C)c2C(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C18H23N5O3/c1-3-26-15-6-4-14(5-7-15)23-16(12(2)20-21-23)18(25)22-10-8-13(9-11-22)17(19)24/h4-7,13H,3,8-11H2,1-2H3,(H2,19,24)
InChIKeyWEBJANHZNBRJKX-UHFFFAOYSA-N
XLogP1.31
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]piperidine-4-carboxamide
CID 119125999
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperidine-4-carboxamide
CID 4789023
1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide
CID 976244
1-(4-ethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 27655572
1-[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carbonyl]piperidine-4-carboxamide
CID 17052419
1-(2-amino-6-ethoxybenzoyl)piperidine-4-carboxamide
CID 81393685
trans-(1R,3R)-3-[[3-(4-ethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxamide
CID 90389644
1-(5-methyl-1-quinolin-6-yltriazole-4-carbonyl)piperidine-4-carboxamide
CID 119126304
2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
CID 1172276
(3S)-1-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 9440802
[5-cyclopropyl-1-(4-ethoxyphenyl)triazol-4-yl]methanamine
CID 82196033
[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110888004

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethoxyphenyl)-5-methyltriazole-4-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(4-ethoxyphenyl)-5-methyltriazole-4-carbonyl]piperidine-4-carboxamide (CID 23612625) is 1-[3-(4-ethoxyphenyl)-5-methyltriazole-4-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(4-ethoxyphenyl)-5-methyltriazole-4-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(4-ethoxyphenyl)-5-methyltriazole-4-carbonyl]piperidine-4-carboxamide is CCOc1ccc(-n2nnc(C)c2C(=O)N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[3-(4-ethoxyphenyl)-5-methyltriazole-4-carbonyl]piperidine-4-carboxamide?
The InChIKey is WEBJANHZNBRJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-3-26-15-6-4-14(5-7-15)23-16(12(2)20-21-23)18(25)22-10-8-13(9-11-22)17(19)24/h4-7,13H,3,8-11H2,1-2H3,(H2,19,24).
What are the key properties of 1-[3-(4-ethoxyphenyl)-5-methyltriazole-4-carbonyl]piperidine-4-carboxamide?
1-[3-(4-ethoxyphenyl)-5-methyltriazole-4-carbonyl]piperidine-4-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethoxyphenyl)-5-methyltriazole-4-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 23612625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).