(3-ethoxyphenyl)-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone

C18H23N3O2 — CID 136540847

IUPAC(3-ethoxyphenyl)-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone
SMILESCCOc1cccc(C(=O)N2CCCC(c3ccnn3C)C2)c1
InChIInChI=1S/C18H23N3O2/c1-3-23-16-8-4-6-14(12-16)18(22)21-11-5-7-15(13-21)17-9-10-19-20(17)2/h4,6,8-10,12,15H,3,5,7,11,13H2,1-2H3
InChIKeyZEQHCBNCIRNERL-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.84
Rot. Bonds4

About (3-ethoxyphenyl)-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone

(3-ethoxyphenyl)-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone (PubChem CID 136540847) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (3-ethoxyphenyl)-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethoxyphenyl)-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone
PubChem CID136540847
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(3-ethoxyphenyl)-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone
SMILESCCOc1cccc(C(=O)N2CCCC(c3ccnn3C)C2)c1
InChIInChI=1S/C18H23N3O2/c1-3-23-16-8-4-6-14(12-16)18(22)21-11-5-7-15(13-21)17-9-10-19-20(17)2/h4,6,8-10,12,15H,3,5,7,11,13H2,1-2H3
InChIKeyZEQHCBNCIRNERL-UHFFFAOYSA-N
XLogP2.84
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethoxybenzoyl)piperidine-3-carboxylic acid
CID 54794301
[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(3-ethoxyphenyl)methanone
CID 72906810
[3-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
CID 95578552
1-(3-ethoxybenzoyl)piperidine-3-carbohydrazide
CID 54793893
N-(2-aminoethyl)-1-(3-ethoxybenzoyl)piperidine-3-carboxamide
CID 119481465
(3-ethoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119397688
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
N-[[(3S)-1-(3-ethoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95151002
[3-(2-methoxyethoxy)phenyl]-(3-pyridin-3-ylpiperidin-1-yl)methanone
CID 126826318
[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-(3-ethoxyphenyl)methanone
CID 136582462
[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenoxyphenyl)methanone
CID 96579127
[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 97202742

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-ethoxyphenyl)-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone (CID 136540847) is (3-ethoxyphenyl)-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-ethoxyphenyl)-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-ethoxyphenyl)-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone is CCOc1cccc(C(=O)N2CCCC(c3ccnn3C)C2)c1.
What is the InChIKey of (3-ethoxyphenyl)-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is ZEQHCBNCIRNERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-23-16-8-4-6-14(12-16)18(22)21-11-5-7-15(13-21)17-9-10-19-20(17)2/h4,6,8-10,12,15H,3,5,7,11,13H2,1-2H3.
What are the key properties of (3-ethoxyphenyl)-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone?
(3-ethoxyphenyl)-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 313.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 136540847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).