N-[3-methyl-1-(2-methylphenyl)butyl]-1-piperidin-4-yltriazole-4-carboxamide

C20H29N5O — CID 119782809

IUPACN-[3-methyl-1-(2-methylphenyl)butyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1ccccc1C(CC(C)C)NC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C20H29N5O/c1-14(2)12-18(17-7-5-4-6-15(17)3)22-20(26)19-13-25(24-23-19)16-8-10-21-11-9-16/h4-7,13-14,16,18,21H,8-12H2,1-3H3,(H,22,26)
InChIKeyPRLXDEPELCLVMU-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.03
Rot. Bonds6

About N-[3-methyl-1-(2-methylphenyl)butyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[3-methyl-1-(2-methylphenyl)butyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119782809) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is N-[3-methyl-1-(2-methylphenyl)butyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-(2-methylphenyl)butyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119782809
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC NameN-[3-methyl-1-(2-methylphenyl)butyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1ccccc1C(CC(C)C)NC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C20H29N5O/c1-14(2)12-18(17-7-5-4-6-15(17)3)22-20(26)19-13-25(24-23-19)16-8-10-21-11-9-16/h4-7,13-14,16,18,21H,8-12H2,1-3H3,(H,22,26)
InChIKeyPRLXDEPELCLVMU-UHFFFAOYSA-N
XLogP3.03
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-1-(2-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119782766
N-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282853
N-[1-(2-chlorophenyl)-2-methylpropyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119789668
N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119716614
N-(3-phenylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119790461
N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670454
N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716613
N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-4-carboxamide;hydrochloride
CID 119323124
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 79250057
1-piperidin-4-yl-N-(1-thiophen-2-ylpropan-2-yl)triazole-4-carboxamide
CID 119722713
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119813101

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(2-methylphenyl)butyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[3-methyl-1-(2-methylphenyl)butyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119782809) is N-[3-methyl-1-(2-methylphenyl)butyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[3-methyl-1-(2-methylphenyl)butyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[3-methyl-1-(2-methylphenyl)butyl]-1-piperidin-4-yltriazole-4-carboxamide is Cc1ccccc1C(CC(C)C)NC(=O)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-[3-methyl-1-(2-methylphenyl)butyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is PRLXDEPELCLVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-14(2)12-18(17-7-5-4-6-15(17)3)22-20(26)19-13-25(24-23-19)16-8-10-21-11-9-16/h4-7,13-14,16,18,21H,8-12H2,1-3H3,(H,22,26).
What are the key properties of N-[3-methyl-1-(2-methylphenyl)butyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[3-methyl-1-(2-methylphenyl)butyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 355.49 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(2-methylphenyl)butyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119782809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).