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

C19H24N4O2 — CID 53192403

IUPAC[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)N1CCC(c2nc(C3CC3)n[nH]2)CC1
InChIInChI=1S/C19H24N4O2/c1-2-25-16-6-4-3-5-15(16)19(24)23-11-9-14(10-12-23)18-20-17(21-22-18)13-7-8-13/h3-6,13-14H,2,7-12H2,1H3,(H,20,21,22)
InChIKeyRNBRLCCWVAEXET-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.10
Rot. Bonds5

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

[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(2-ethoxyphenyl)methanone (PubChem CID 53192403) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(2-ethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(2-ethoxyphenyl)methanone
PubChem CID53192403
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)N1CCC(c2nc(C3CC3)n[nH]2)CC1
InChIInChI=1S/C19H24N4O2/c1-2-25-16-6-4-3-5-15(16)19(24)23-11-9-14(10-12-23)18-20-17(21-22-18)13-7-8-13/h3-6,13-14H,2,7-12H2,1H3,(H,20,21,22)
InChIKeyRNBRLCCWVAEXET-UHFFFAOYSA-N
XLogP3.10
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromophenyl)-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 163340265
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 1430211
3-[1-(2-ethoxybenzoyl)piperidin-4-yl]-4-phenyl-1H-1,2,4-triazol-5-one
CID 91809875
[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone
CID 53192405
(2-chloro-4-fluorophenyl)-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 53192419
(2-ethoxyphenyl)-[(3S)-3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 95110997
[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 53192439
1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
(2-ethoxyphenyl)-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53051395
(2-ethoxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60817895
(2-ethoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119930139
5-[1-(2-ethoxybenzoyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 92591087

Frequently Asked Questions

What is the IUPAC name of [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(2-ethoxyphenyl)methanone?
The IUPAC name of [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(2-ethoxyphenyl)methanone (CID 53192403) is [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(2-ethoxyphenyl)methanone.
What is the SMILES notation for [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(2-ethoxyphenyl)methanone?
The canonical SMILES for [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(2-ethoxyphenyl)methanone is CCOc1ccccc1C(=O)N1CCC(c2nc(C3CC3)n[nH]2)CC1.
What is the InChIKey of [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(2-ethoxyphenyl)methanone?
The InChIKey is RNBRLCCWVAEXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-25-16-6-4-3-5-15(16)19(24)23-11-9-14(10-12-23)18-20-17(21-22-18)13-7-8-13/h3-6,13-14H,2,7-12H2,1H3,(H,20,21,22).
What are the key properties of [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(2-ethoxyphenyl)methanone?
[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(2-ethoxyphenyl)methanone has a molecular weight of 340.43 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(2-ethoxyphenyl)methanone is sourced from PubChem (CID 53192403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).