1-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-2-methoxyethanone

C18H26N2O3 — CID 156601705

IUPAC1-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCC(O)(c2ccccc2)C(N2CCCC2)C1
InChIInChI=1S/C18H26N2O3/c1-23-14-17(21)20-12-9-18(22,15-7-3-2-4-8-15)16(13-20)19-10-5-6-11-19/h2-4,7-8,16,22H,5-6,9-14H2,1H3
InChIKeyMJBBLOYLOAIFBR-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.22
Rot. Bonds4

About 1-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-2-methoxyethanone

1-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-2-methoxyethanone (PubChem CID 156601705) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-2-methoxyethanone
PubChem CID156601705
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCC(O)(c2ccccc2)C(N2CCCC2)C1
InChIInChI=1S/C18H26N2O3/c1-23-14-17(21)20-12-9-18(22,15-7-3-2-4-8-15)16(13-20)19-10-5-6-11-19/h2-4,7-8,16,22H,5-6,9-14H2,1H3
InChIKeyMJBBLOYLOAIFBR-UHFFFAOYSA-N
XLogP1.22
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]-thiophen-2-ylmethanone
CID 99768097
furan-2-yl-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 156602389
(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-thiophen-3-ylmethanone
CID 156601702
1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]ethanone
CID 169412914
1-cyclopropyl-3-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-4-methylpyridin-2-one
CID 172661366
2-methoxy-1-(3-phenylazepan-1-yl)ethanone
CID 90608413
1-phenyl-2-pyrrolidin-1-ylcyclopentan-1-ol
CID 20569063
1-phenyl-2-piperidin-1-ylcyclohexan-1-ol
CID 68530299
formic acid;1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 171712344
formic acid;[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 171710004
[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]methanone;dihydrochloride
CID 171331002
1-[(3aR,7S,7aS)-7-hydroxy-7-phenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-2-ethoxyethanone
CID 162628668

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-2-methoxyethanone?
The IUPAC name of 1-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-2-methoxyethanone (CID 156601705) is 1-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-2-methoxyethanone?
The canonical SMILES for 1-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-2-methoxyethanone is COCC(=O)N1CCC(O)(c2ccccc2)C(N2CCCC2)C1.
What is the InChIKey of 1-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-2-methoxyethanone?
The InChIKey is MJBBLOYLOAIFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-23-14-17(21)20-12-9-18(22,15-7-3-2-4-8-15)16(13-20)19-10-5-6-11-19/h2-4,7-8,16,22H,5-6,9-14H2,1H3.
What are the key properties of 1-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-2-methoxyethanone?
1-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-2-methoxyethanone has a molecular weight of 318.42 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-2-methoxyethanone is sourced from PubChem (CID 156601705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).