[(2S)-2-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone

C24H32N4O3 — CID 92632713

IUPAC[(2S)-2-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
SMILESCCn1nccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(OC)c2)CC1
InChIInChI=1S/C24H32N4O3/c1-3-28-22(10-13-25-28)24(30)26-15-11-18(12-16-26)21-9-4-5-14-27(21)23(29)19-7-6-8-20(17-19)31-2/h6-8,10,13,17-18,21H,3-5,9,11-12,14-16H2,1-2H3/t21-/m0/s1
InChIKeyWQXYDPCKXIXYCK-NRFANRHFSA-N
MW424.55 g/mol
LogP3.46
Rot. Bonds5

About [(2S)-2-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone

[(2S)-2-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 92632713) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is [(2S)-2-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(2S)-2-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
PubChem CID92632713
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name[(2S)-2-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
SMILESCCn1nccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(OC)c2)CC1
InChIInChI=1S/C24H32N4O3/c1-3-28-22(10-13-25-28)24(30)26-15-11-18(12-16-26)21-9-4-5-14-27(21)23(29)19-7-6-8-20(17-19)31-2/h6-8,10,13,17-18,21H,3-5,9,11-12,14-16H2,1-2H3/t21-/m0/s1
InChIKeyWQXYDPCKXIXYCK-NRFANRHFSA-N
XLogP3.46
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 79548686
(3-methoxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256589
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868482
(2-cyclohexylpyrrolidin-1-yl)-[2-(2,2-difluoroethyl)pyrazol-3-yl]methanone
CID 119050431
(3-methoxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62273189
[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 2912264
[4-[3-[1-(3-methoxybenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 23790808
[(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]methylurea
CID 95306637
[(2S)-2-ethylpiperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone
CID 95875592
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
CID 119634499
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone
CID 126783382

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [(2S)-2-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone (CID 92632713) is [(2S)-2-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [(2S)-2-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [(2S)-2-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone is CCn1nccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(OC)c2)CC1.
What is the InChIKey of [(2S)-2-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is WQXYDPCKXIXYCK-NRFANRHFSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-3-28-22(10-13-25-28)24(30)26-15-11-18(12-16-26)21-9-4-5-14-27(21)23(29)19-7-6-8-20(17-19)31-2/h6-8,10,13,17-18,21H,3-5,9,11-12,14-16H2,1-2H3/t21-/m0/s1.
What are the key properties of [(2S)-2-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone?
[(2S)-2-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 424.55 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 92632713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).