3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-N-methylbenzamide

C18H23N5O2 — CID 95777623

IUPAC3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(C(=O)N2CCC[C@@H](n3nc(C)nc3C)C2)c1
InChIInChI=1S/C18H23N5O2/c1-12-20-13(2)23(21-12)16-8-5-9-22(11-16)18(25)15-7-4-6-14(10-15)17(24)19-3/h4,6-7,10,16H,5,8-9,11H2,1-3H3,(H,19,24)/t16-/m1/s1
InChIKeyPZPZGBRVHTUMMF-MRXNPFEDSA-N
MW341.42 g/mol
LogP1.73
Rot. Bonds3

About 3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-N-methylbenzamide

3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-N-methylbenzamide (PubChem CID 95777623) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-N-methylbenzamide
PubChem CID95777623
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(C(=O)N2CCC[C@@H](n3nc(C)nc3C)C2)c1
InChIInChI=1S/C18H23N5O2/c1-12-20-13(2)23(21-12)16-8-5-9-22(11-16)18(25)15-7-4-6-14(10-15)17(24)19-3/h4,6-7,10,16H,5,8-9,11H2,1-3H3,(H,19,24)/t16-/m1/s1
InChIKeyPZPZGBRVHTUMMF-MRXNPFEDSA-N
XLogP1.73
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidine-1-carbonyl]-N-propylbenzamide
CID 138993894
[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(4-ethoxyphenyl)methanone
CID 95736821
(3-chlorophenyl)-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]methanone
CID 138993897
[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 95736860
[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(2-fluoro-5-methylphenyl)methanone
CID 95737277
[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 95737222
[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 95737221
[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95737115
[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 95737234
[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(5-ethylfuran-2-yl)methanone
CID 95737072
[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 95737135
N-methyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride
CID 120995500

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-N-methylbenzamide?
The IUPAC name of 3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-N-methylbenzamide (CID 95777623) is 3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-N-methylbenzamide.
What is the SMILES notation for 3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-N-methylbenzamide?
The canonical SMILES for 3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-N-methylbenzamide is CNC(=O)c1cccc(C(=O)N2CCC[C@@H](n3nc(C)nc3C)C2)c1.
What is the InChIKey of 3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-N-methylbenzamide?
The InChIKey is PZPZGBRVHTUMMF-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12-20-13(2)23(21-12)16-8-5-9-22(11-16)18(25)15-7-4-6-14(10-15)17(24)19-3/h4,6-7,10,16H,5,8-9,11H2,1-3H3,(H,19,24)/t16-/m1/s1.
What are the key properties of 3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-N-methylbenzamide?
3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-N-methylbenzamide has a molecular weight of 341.42 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-N-methylbenzamide is sourced from PubChem (CID 95777623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).