[3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone

C20H25N3O2 — CID 84583530

IUPAC[3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
SMILESCOc1ccccc1CC1CCCN(C(=O)c2n[nH]c3c2CCC3)C1
InChIInChI=1S/C20H25N3O2/c1-25-18-10-3-2-7-15(18)12-14-6-5-11-23(13-14)20(24)19-16-8-4-9-17(16)21-22-19/h2-3,7,10,14H,4-6,8-9,11-13H2,1H3,(H,21,22)
InChIKeyKTCGMDLADYCFII-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.00
Rot. Bonds4

About [3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone

[3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone (PubChem CID 84583530) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
PubChem CID84583530
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name[3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
SMILESCOc1ccccc1CC1CCCN(C(=O)c2n[nH]c3c2CCC3)C1
InChIInChI=1S/C20H25N3O2/c1-25-18-10-3-2-7-15(18)12-14-6-5-11-23(13-14)20(24)19-16-8-4-9-17(16)21-22-19/h2-3,7,10,14H,4-6,8-9,11-13H2,1H3,(H,21,22)
InChIKeyKTCGMDLADYCFII-UHFFFAOYSA-N
XLogP3.00
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 45251297
[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95174843
N-(3-chloro-4-methoxyphenyl)-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]propanamide
CID 45251739
[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 72872300
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]propanamide
CID 42515116
[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95174845
(4-methoxyphenyl)-[(3S)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone
CID 51492761
4-[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97202812
(4-phenylazepan-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 77090678
4-[(3R)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97202813
(3-aminopyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 112708550
1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-(2-methoxyphenyl)ethanone
CID 46076126

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The IUPAC name of [3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone (CID 84583530) is [3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone.
What is the SMILES notation for [3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The canonical SMILES for [3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone is COc1ccccc1CC1CCCN(C(=O)c2n[nH]c3c2CCC3)C1.
What is the InChIKey of [3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The InChIKey is KTCGMDLADYCFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-25-18-10-3-2-7-15(18)12-14-6-5-11-23(13-14)20(24)19-16-8-4-9-17(16)21-22-19/h2-3,7,10,14H,4-6,8-9,11-13H2,1H3,(H,21,22).
What are the key properties of [3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
[3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone has a molecular weight of 339.44 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone is sourced from PubChem (CID 84583530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).