N-[3-(methoxymethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

C17H23N5O2 — CID 119722274

IUPACN-[3-(methoxymethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCOCc1cccc(NC(=O)c2nnn(C3CCNCC3)c2C)c1
InChIInChI=1S/C17H23N5O2/c1-12-16(20-21-22(12)15-6-8-18-9-7-15)17(23)19-14-5-3-4-13(10-14)11-24-2/h3-5,10,15,18H,6-9,11H2,1-2H3,(H,19,23)
InChIKeyNWHMZXRSIPUAHW-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.91
Rot. Bonds5

About N-[3-(methoxymethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

N-[3-(methoxymethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119722274) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[3-(methoxymethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(methoxymethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119722274
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[3-(methoxymethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCOCc1cccc(NC(=O)c2nnn(C3CCNCC3)c2C)c1
InChIInChI=1S/C17H23N5O2/c1-12-16(20-21-22(12)15-6-8-18-9-7-15)17(23)19-14-5-3-4-13(10-14)11-24-2/h3-5,10,15,18H,6-9,11H2,1-2H3,(H,19,23)
InChIKeyNWHMZXRSIPUAHW-UHFFFAOYSA-N
XLogP1.91
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(methoxymethyl)phenyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119718209
5-methyl-N-(3-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670413
N-(3-acetylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119673298
N-(3-bromophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119670376
5-methyl-1-piperidin-4-yl-N-(3-propoxyphenyl)triazole-4-carboxamide
CID 119714993
N-[3-(difluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119767728
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119699613
N-[3-(difluoromethylsulfonyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119770459
N-(3-ethoxy-4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119717648
N-(3-fluoro-4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119705669
5-methyl-N-(2-methyl-4-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119832832
N-(3-fluoro-4-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119674362

Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[3-(methoxymethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (CID 119722274) is N-[3-(methoxymethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[3-(methoxymethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[3-(methoxymethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is COCc1cccc(NC(=O)c2nnn(C3CCNCC3)c2C)c1.
What is the InChIKey of N-[3-(methoxymethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is NWHMZXRSIPUAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-16(20-21-22(12)15-6-8-18-9-7-15)17(23)19-14-5-3-4-13(10-14)11-24-2/h3-5,10,15,18H,6-9,11H2,1-2H3,(H,19,23).
What are the key properties of N-[3-(methoxymethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
N-[3-(methoxymethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119722274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).