N,N-diethyl-1-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide

C19H27N5O2 — CID 26399029

IUPACN,N-diethyl-1-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(C2CCN(Cc3ccccc3O)CC2)nn1
InChIInChI=1S/C19H27N5O2/c1-3-23(4-2)19(26)17-14-24(21-20-17)16-9-11-22(12-10-16)13-15-7-5-6-8-18(15)25/h5-8,14,16,25H,3-4,9-13H2,1-2H3
InChIKeyWFBPDRRYVXGJJI-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.30
Rot. Bonds6

About N,N-diethyl-1-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide

N,N-diethyl-1-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide (PubChem CID 26399029) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N,N-diethyl-1-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide
PubChem CID26399029
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC NameN,N-diethyl-1-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(C2CCN(Cc3ccccc3O)CC2)nn1
InChIInChI=1S/C19H27N5O2/c1-3-23(4-2)19(26)17-14-24(21-20-17)16-9-11-22(12-10-16)13-15-7-5-6-8-18(15)25/h5-8,14,16,25H,3-4,9-13H2,1-2H3
InChIKeyWFBPDRRYVXGJJI-UHFFFAOYSA-N
XLogP2.30
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-1-[1-(quinolin-5-ylmethyl)piperidin-4-yl]triazole-4-carboxamide
CID 42501111
N,N-diethyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 42432934
N,N-diethyl-1-[1-[(2-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45213295
N,N-diethyl-1-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26341567
1-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-N,N-diethyltriazole-4-carboxamide
CID 45199833
N,N-diethyl-1-[(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26358274
N,N-diethyl-1-[(3S)-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 42435625
N,N-diethyl-1-[1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45250697
N-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]triazole-4-carboxamide
CID 42376577
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
N,N-diethyl-1-[(3R)-1-(quinolin-5-ylmethyl)piperidin-3-yl]triazole-4-carboxamide
CID 25328000
1-[1-(2-cyclopentylacetyl)piperidin-4-yl]-N,N-diethyltriazole-4-carboxamide
CID 26326855

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide?
The IUPAC name of N,N-diethyl-1-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide (CID 26399029) is N,N-diethyl-1-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide is CCN(CC)C(=O)c1cn(C2CCN(Cc3ccccc3O)CC2)nn1.
What is the InChIKey of N,N-diethyl-1-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide?
The InChIKey is WFBPDRRYVXGJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-3-23(4-2)19(26)17-14-24(21-20-17)16-9-11-22(12-10-16)13-15-7-5-6-8-18(15)25/h5-8,14,16,25H,3-4,9-13H2,1-2H3.
What are the key properties of N,N-diethyl-1-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide?
N,N-diethyl-1-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide is sourced from PubChem (CID 26399029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).