[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(1-phenylcyclopentyl)methanone

C21H31NO3 — CID 97155834

IUPAC[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(1-phenylcyclopentyl)methanone
SMILESCOCC[C@]1(CO)CCCN(C(=O)C2(c3ccccc3)CCCC2)C1
InChIInChI=1S/C21H31NO3/c1-25-15-13-20(17-23)10-7-14-22(16-20)19(24)21(11-5-6-12-21)18-8-3-2-4-9-18/h2-4,8-9,23H,5-7,10-17H2,1H3/t20-/m1/s1
InChIKeyLLPSLCYXKDNRCQ-HXUWFJFHSA-N
MW345.48 g/mol
LogP3.14
Rot. Bonds6

About [(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(1-phenylcyclopentyl)methanone

[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(1-phenylcyclopentyl)methanone (PubChem CID 97155834) has the molecular formula C21H31NO3 and a molecular weight of 345.48 g/mol. Its IUPAC name is [(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(1-phenylcyclopentyl)methanone.

Molecular Properties

Compound Name[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(1-phenylcyclopentyl)methanone
PubChem CID97155834
Molecular FormulaC21H31NO3
Molecular Weight345.48 g/mol
Exact Mass345.23
IUPAC Name[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(1-phenylcyclopentyl)methanone
SMILESCOCC[C@]1(CO)CCCN(C(=O)C2(c3ccccc3)CCCC2)C1
InChIInChI=1S/C21H31NO3/c1-25-15-13-20(17-23)10-7-14-22(16-20)19(24)21(11-5-6-12-21)18-8-3-2-4-9-18/h2-4,8-9,23H,5-7,10-17H2,1H3/t20-/m1/s1
InChIKeyLLPSLCYXKDNRCQ-HXUWFJFHSA-N
XLogP3.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97131354
1-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-2-(2-methylphenoxy)ethanone
CID 97117000
[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
CID 72925090
1-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 72914663
(3R)-N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carboxamide
CID 97151417
methyl 4-[(3R)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]-4-oxobutanoate
CID 26411573
2-(3,4-dimethylphenoxy)-1-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]ethanone
CID 97130859
[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 97149586
(5-chloro-2-methoxyphenyl)-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone
CID 97142593
2,3-dihydro-1,4-benzodioxin-6-yl-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone
CID 97138469
(3-fluoro-4-methoxyphenyl)-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone
CID 97125477
[(3S)-3-(2-methoxyethyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methanol
CID 97113551

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(1-phenylcyclopentyl)methanone?
The IUPAC name of [(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(1-phenylcyclopentyl)methanone (CID 97155834) is [(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(1-phenylcyclopentyl)methanone.
What is the SMILES notation for [(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(1-phenylcyclopentyl)methanone?
The canonical SMILES for [(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(1-phenylcyclopentyl)methanone is COCC[C@]1(CO)CCCN(C(=O)C2(c3ccccc3)CCCC2)C1.
What is the InChIKey of [(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(1-phenylcyclopentyl)methanone?
The InChIKey is LLPSLCYXKDNRCQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H31NO3/c1-25-15-13-20(17-23)10-7-14-22(16-20)19(24)21(11-5-6-12-21)18-8-3-2-4-9-18/h2-4,8-9,23H,5-7,10-17H2,1H3/t20-/m1/s1.
What are the key properties of [(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(1-phenylcyclopentyl)methanone?
[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(1-phenylcyclopentyl)methanone has a molecular weight of 345.48 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(1-phenylcyclopentyl)methanone is sourced from PubChem (CID 97155834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).