1-(3-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]triazole-4-carboxamide

C21H29N5O2 — CID 136524946

IUPAC1-(3-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]triazole-4-carboxamide
SMILESCc1cccc(-n2cc(C(=O)NCC3(N4CCCCC4)CCOCC3)nn2)c1
InChIInChI=1S/C21H29N5O2/c1-17-6-5-7-18(14-17)26-15-19(23-24-26)20(27)22-16-21(8-12-28-13-9-21)25-10-3-2-4-11-25/h5-7,14-15H,2-4,8-13,16H2,1H3,(H,22,27)
InChIKeyFPJCZFWFQZEHMC-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.34
Rot. Bonds5

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

1-(3-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]triazole-4-carboxamide (PubChem CID 136524946) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]triazole-4-carboxamide
PubChem CID136524946
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name1-(3-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]triazole-4-carboxamide
SMILESCc1cccc(-n2cc(C(=O)NCC3(N4CCCCC4)CCOCC3)nn2)c1
InChIInChI=1S/C21H29N5O2/c1-17-6-5-7-18(14-17)26-15-19(23-24-26)20(27)22-16-21(8-12-28-13-9-21)25-10-3-2-4-11-25/h5-7,14-15H,2-4,8-13,16H2,1H3,(H,22,27)
InChIKeyFPJCZFWFQZEHMC-UHFFFAOYSA-N
XLogP2.34
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride
CID 119506900
4-chloro-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyridine-2-carboxamide
CID 136524945
N-[2-(methylamino)propyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride
CID 120831934
N-[(1-hydroxycycloheptyl)methyl]-1-phenyltriazole-4-carboxamide
CID 111433180
N-[(4-piperidin-1-yloxan-4-yl)methyl]-2-pyrazol-1-ylpyridine-4-carboxamide
CID 154737203
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1-(3-methylphenyl)triazole-4-carboxamide
CID 111458491
5-methyl-1-(2-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrazole-4-carboxamide
CID 126775757
N-[3-(4-hydroxypiperidin-1-yl)propyl]-1-(3-methylphenyl)triazole-4-carboxamide
CID 111429573
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2559826
1-(3-methylphenyl)-4-(1-pyrrolidin-1-ylethenyl)triazole
CID 139421999
[(2S)-2-(aminomethyl)piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 124698513
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1-phenyltriazole-4-carboxamide
CID 46431818

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-(3-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]triazole-4-carboxamide (CID 136524946) is 1-(3-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-(3-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]triazole-4-carboxamide is Cc1cccc(-n2cc(C(=O)NCC3(N4CCCCC4)CCOCC3)nn2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]triazole-4-carboxamide?
The InChIKey is FPJCZFWFQZEHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-17-6-5-7-18(14-17)26-15-19(23-24-26)20(27)22-16-21(8-12-28-13-9-21)25-10-3-2-4-11-25/h5-7,14-15H,2-4,8-13,16H2,1H3,(H,22,27).
What are the key properties of 1-(3-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]triazole-4-carboxamide?
1-(3-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]triazole-4-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 136524946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).