4-(4-tert-butyltriazol-1-yl)-N-(3,4-dimethylphenyl)piperidine-1-carboxamide

C20H29N5O — CID 47000489

IUPAC4-(4-tert-butyltriazol-1-yl)-N-(3,4-dimethylphenyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(n3cc(C(C)(C)C)nn3)CC2)cc1C
InChIInChI=1S/C20H29N5O/c1-14-6-7-16(12-15(14)2)21-19(26)24-10-8-17(9-11-24)25-13-18(22-23-25)20(3,4)5/h6-7,12-13,17H,8-11H2,1-5H3,(H,21,26)
InChIKeyXZOZPHILOKTXRO-UHFFFAOYSA-N
MW355.49 g/mol
LogP4.06
Rot. Bonds2

About 4-(4-tert-butyltriazol-1-yl)-N-(3,4-dimethylphenyl)piperidine-1-carboxamide

4-(4-tert-butyltriazol-1-yl)-N-(3,4-dimethylphenyl)piperidine-1-carboxamide (PubChem CID 47000489) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 4-(4-tert-butyltriazol-1-yl)-N-(3,4-dimethylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-tert-butyltriazol-1-yl)-N-(3,4-dimethylphenyl)piperidine-1-carboxamide
PubChem CID47000489
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name4-(4-tert-butyltriazol-1-yl)-N-(3,4-dimethylphenyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(n3cc(C(C)(C)C)nn3)CC2)cc1C
InChIInChI=1S/C20H29N5O/c1-14-6-7-16(12-15(14)2)21-19(26)24-10-8-17(9-11-24)25-13-18(22-23-25)20(3,4)5/h6-7,12-13,17H,8-11H2,1-5H3,(H,21,26)
InChIKeyXZOZPHILOKTXRO-UHFFFAOYSA-N
XLogP4.06
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430925
N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 4216629
N-(2,5-dimethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide
CID 46992891
(3R)-N-(3,4-dimethylphenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)pyrrolidine-1-carboxamide
CID 100728995
N-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide
CID 5065354
N-(2,5-dimethylphenyl)-4-(4-pyridin-3-yltriazol-1-yl)piperidine-1-carboxamide
CID 30937423
N-(3,4-dimethylphenyl)-4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide
CID 20955487
(3R)-3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide
CID 97427307
N-(3,4-dimethylphenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 90495360
4-hydroxy-N-[3-[(4-hydroxypiperidine-1-carbonyl)amino]-4-methylphenyl]piperidine-1-carboxamide
CID 41296153
N-(3-methylphenyl)-4-(1-piperidin-4-yltriazole-4-carbonyl)piperazine-1-carboxamide;hydrochloride
CID 119765327
[1-[(3,4-dimethylphenyl)carbamoyl]piperidin-4-yl]-methyl-(3-methylbutyl)azanium
CID 4564372

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyltriazol-1-yl)-N-(3,4-dimethylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(4-tert-butyltriazol-1-yl)-N-(3,4-dimethylphenyl)piperidine-1-carboxamide (CID 47000489) is 4-(4-tert-butyltriazol-1-yl)-N-(3,4-dimethylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-tert-butyltriazol-1-yl)-N-(3,4-dimethylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(4-tert-butyltriazol-1-yl)-N-(3,4-dimethylphenyl)piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(n3cc(C(C)(C)C)nn3)CC2)cc1C.
What is the InChIKey of 4-(4-tert-butyltriazol-1-yl)-N-(3,4-dimethylphenyl)piperidine-1-carboxamide?
The InChIKey is XZOZPHILOKTXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-14-6-7-16(12-15(14)2)21-19(26)24-10-8-17(9-11-24)25-13-18(22-23-25)20(3,4)5/h6-7,12-13,17H,8-11H2,1-5H3,(H,21,26).
What are the key properties of 4-(4-tert-butyltriazol-1-yl)-N-(3,4-dimethylphenyl)piperidine-1-carboxamide?
4-(4-tert-butyltriazol-1-yl)-N-(3,4-dimethylphenyl)piperidine-1-carboxamide has a molecular weight of 355.49 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyltriazol-1-yl)-N-(3,4-dimethylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 47000489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).