N,N-diethyl-1-[1-[(2-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide

C20H29N5O — CID 45213295

IUPACN,N-diethyl-1-[1-[(2-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(C2CCCN(Cc3ccccc3C)C2)nn1
InChIInChI=1S/C20H29N5O/c1-4-24(5-2)20(26)19-15-25(22-21-19)18-11-8-12-23(14-18)13-17-10-7-6-9-16(17)3/h6-7,9-10,15,18H,4-5,8,11-14H2,1-3H3
InChIKeyROCJBMPVFYSCBQ-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.91
Rot. Bonds6

About N,N-diethyl-1-[1-[(2-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide

N,N-diethyl-1-[1-[(2-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide (PubChem CID 45213295) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is N,N-diethyl-1-[1-[(2-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[1-[(2-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
PubChem CID45213295
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC NameN,N-diethyl-1-[1-[(2-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(C2CCCN(Cc3ccccc3C)C2)nn1
InChIInChI=1S/C20H29N5O/c1-4-24(5-2)20(26)19-15-25(22-21-19)18-11-8-12-23(14-18)13-17-10-7-6-9-16(17)3/h6-7,9-10,15,18H,4-5,8,11-14H2,1-3H3
InChIKeyROCJBMPVFYSCBQ-UHFFFAOYSA-N
XLogP2.91
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-3-methoxyphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 42435625
N,N-diethyl-1-[(3R)-1-(quinolin-5-ylmethyl)piperidin-3-yl]triazole-4-carboxamide
CID 25328000
1-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-N,N-diethyltriazole-4-carboxamide
CID 25326216
N,N-diethyl-1-[1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45250697
N,N-diethyl-1-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26355311
N,N-diethyl-1-[(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26358274
N,N-diethyl-1-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 26399029
methyl 4-[[3-[4-(diethylcarbamoyl)triazol-1-yl]piperidin-1-yl]methyl]benzoate
CID 45244526
N,N-diethyl-1-[1-[(E)-2-methylbut-2-enyl]piperidin-3-yl]triazole-4-carboxamide
CID 45205536
1-[(3R)-1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-N-(2-hydroxyethyl)-N-methyltriazole-4-carboxamide
CID 42397607

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[1-[(2-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide?
The IUPAC name of N,N-diethyl-1-[1-[(2-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide (CID 45213295) is N,N-diethyl-1-[1-[(2-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[1-[(2-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-[1-[(2-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide is CCN(CC)C(=O)c1cn(C2CCCN(Cc3ccccc3C)C2)nn1.
What is the InChIKey of N,N-diethyl-1-[1-[(2-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide?
The InChIKey is ROCJBMPVFYSCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-4-24(5-2)20(26)19-15-25(22-21-19)18-11-8-12-23(14-18)13-17-10-7-6-9-16(17)3/h6-7,9-10,15,18H,4-5,8,11-14H2,1-3H3.
What are the key properties of N,N-diethyl-1-[1-[(2-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide?
N,N-diethyl-1-[1-[(2-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide has a molecular weight of 355.49 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[1-[(2-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide is sourced from PubChem (CID 45213295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).