[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone

C20H30N2O4 — CID 125150871

IUPAC[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
SMILESCOc1cc(CCC2CCN(C(=O)[C@H]3C[C@H](O)CN3)CC2)cc(OC)c1
InChIInChI=1S/C20H30N2O4/c1-25-17-9-15(10-18(12-17)26-2)4-3-14-5-7-22(8-6-14)20(24)19-11-16(23)13-21-19/h9-10,12,14,16,19,21,23H,3-8,11,13H2,1-2H3/t16-,19+/m0/s1
InChIKeyGPYAYLJJLDXERN-QFBILLFUSA-N
MW362.47 g/mol
LogP1.60
Rot. Bonds6

About [4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone

[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone (PubChem CID 125150871) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is [4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
PubChem CID125150871
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
SMILESCOc1cc(CCC2CCN(C(=O)[C@H]3C[C@H](O)CN3)CC2)cc(OC)c1
InChIInChI=1S/C20H30N2O4/c1-25-17-9-15(10-18(12-17)26-2)4-3-14-5-7-22(8-6-14)20(24)19-11-16(23)13-21-19/h9-10,12,14,16,19,21,23H,3-8,11,13H2,1-2H3/t16-,19+/m0/s1
InChIKeyGPYAYLJJLDXERN-QFBILLFUSA-N
XLogP1.60
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,4S)-4-hydroxypyrrolidin-2-yl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 124696685
[(2S,4R)-4-hydroxypyrrolidin-2-yl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 124889673
[4-(3,5-dimethoxyanilino)piperidin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119898039
2-amino-1-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-3-methoxypropan-1-one
CID 120984497
2-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79615736
(4-hydroxypyrrolidin-2-yl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119727479
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119692273
[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 47017711
[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(6-methylsulfanyl-3-pyridinyl)methanone
CID 86885379
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 114797528
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R,4R)-4-hydroxypyrrolidin-2-yl]methanone
CID 124689770
[(2R,4R)-4-hydroxypyrrolidin-2-yl]-[4-(2-phenylethoxy)piperidin-1-yl]methanone
CID 125154106

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone?
The IUPAC name of [4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone (CID 125150871) is [4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone.
What is the SMILES notation for [4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone?
The canonical SMILES for [4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone is COc1cc(CCC2CCN(C(=O)[C@H]3C[C@H](O)CN3)CC2)cc(OC)c1.
What is the InChIKey of [4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone?
The InChIKey is GPYAYLJJLDXERN-QFBILLFUSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-25-17-9-15(10-18(12-17)26-2)4-3-14-5-7-22(8-6-14)20(24)19-11-16(23)13-21-19/h9-10,12,14,16,19,21,23H,3-8,11,13H2,1-2H3/t16-,19+/m0/s1.
What are the key properties of [4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone?
[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone has a molecular weight of 362.47 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone is sourced from PubChem (CID 125150871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).