[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone

C18H22N4O — CID 53192155

IUPAC[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESCc1nc(C2CCCN(C(=O)C3(c4ccccc4)CC3)C2)n[nH]1
InChIInChI=1S/C18H22N4O/c1-13-19-16(21-20-13)14-6-5-11-22(12-14)17(23)18(9-10-18)15-7-3-2-4-8-15/h2-4,7-8,14H,5-6,9-12H2,1H3,(H,19,20,21)
InChIKeyLWAFVDSXBGPZHR-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.55
Rot. Bonds3

About [3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone

[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone (PubChem CID 53192155) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is [3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
PubChem CID53192155
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESCc1nc(C2CCCN(C(=O)C3(c4ccccc4)CC3)C2)n[nH]1
InChIInChI=1S/C18H22N4O/c1-13-19-16(21-20-13)14-6-5-11-22(12-14)17(23)18(9-10-18)15-7-3-2-4-8-15/h2-4,7-8,14H,5-6,9-12H2,1H3,(H,19,20,21)
InChIKeyLWAFVDSXBGPZHR-UHFFFAOYSA-N
XLogP2.55
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 124997224
(2-hydroxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 71917923
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 110259293
[2-(dimethylamino)phenyl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 86284052
1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-4-phenylmethoxybutan-1-one
CID 90648778
[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 71876645
(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
CID 125138168
3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
CID 119072353
[1-(2-ethoxyethyl)cyclopentyl]-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 97228687
[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone
CID 154842099
[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 91915215
(3R)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97285122

Frequently Asked Questions

What is the IUPAC name of [3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
The IUPAC name of [3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone (CID 53192155) is [3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for [3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
The canonical SMILES for [3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone is Cc1nc(C2CCCN(C(=O)C3(c4ccccc4)CC3)C2)n[nH]1.
What is the InChIKey of [3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
The InChIKey is LWAFVDSXBGPZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-19-16(21-20-13)14-6-5-11-22(12-14)17(23)18(9-10-18)15-7-3-2-4-8-15/h2-4,7-8,14H,5-6,9-12H2,1H3,(H,19,20,21).
What are the key properties of [3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone has a molecular weight of 310.40 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 53192155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).