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

C22H29N3O2 — CID 46576805

IUPAC(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone
SMILESCCOc1ccc(CCC2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-2-27-19-9-5-16(6-10-19)3-4-17-11-13-25(14-12-17)22(26)21-15-20(23-24-21)18-7-8-18/h5-6,9-10,15,17-18H,2-4,7-8,11-14H2,1H3,(H,23,24)
InChIKeyNEZVXTWZWGBVMS-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.17
Rot. Bonds7

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

(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone (PubChem CID 46576805) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is (5-cyclopropyl-1H-pyrazol-3-yl)-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone
PubChem CID46576805
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone
SMILESCCOc1ccc(CCC2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-2-27-19-9-5-16(6-10-19)3-4-17-11-13-25(14-12-17)22(26)21-15-20(23-24-21)18-7-8-18/h5-6,9-10,15,17-18H,2-4,7-8,11-14H2,1H3,(H,23,24)
InChIKeyNEZVXTWZWGBVMS-UHFFFAOYSA-N
XLogP4.17
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119644750
ethyl 1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-4-carboxylate
CID 19591205
5-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]-2-methylisoindole-1,3-dione
CID 24586303
5-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide
CID 86890205
1,3-benzothiazol-6-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 24575268
3-amino-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]propan-1-one
CID 119275974
1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylethanone
CID 55514283
[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120619337
[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 33304479
(2-chloro-5-methylsulfonylphenyl)-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 55479704
[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-(2-nitrophenyl)methanone
CID 24575263
1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanone
CID 46588183

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone (CID 46576805) is (5-cyclopropyl-1H-pyrazol-3-yl)-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1H-pyrazol-3-yl)-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1H-pyrazol-3-yl)-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone is CCOc1ccc(CCC2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)cc1.
What is the InChIKey of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone?
The InChIKey is NEZVXTWZWGBVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-2-27-19-9-5-16(6-10-19)3-4-17-11-13-25(14-12-17)22(26)21-15-20(23-24-21)18-7-8-18/h5-6,9-10,15,17-18H,2-4,7-8,11-14H2,1H3,(H,23,24).
What are the key properties of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone?
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone has a molecular weight of 367.49 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1H-pyrazol-3-yl)-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 46576805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).