[(3R)-3-hydroxypiperidin-1-yl]-[4-[4-[methyl-[2-(4-methylphenoxy)ethyl]amino]piperidin-1-yl]phenyl]methanone

C27H37N3O3 — CID 26342515

IUPAC[(3R)-3-hydroxypiperidin-1-yl]-[4-[4-[methyl-[2-(4-methylphenoxy)ethyl]amino]piperidin-1-yl]phenyl]methanone
SMILESCc1ccc(OCCN(C)C2CCN(c3ccc(C(=O)N4CCC[C@@H](O)C4)cc3)CC2)cc1
InChIInChI=1S/C27H37N3O3/c1-21-5-11-26(12-6-21)33-19-18-28(2)23-13-16-29(17-14-23)24-9-7-22(8-10-24)27(32)30-15-3-4-25(31)20-30/h5-12,23,25,31H,3-4,13-20H2,1-2H3/t25-/m1/s1
InChIKeyUHLWPJZHHJRNPM-RUZDIDTESA-N
MW451.61 g/mol
LogP3.57
Rot. Bonds7

About [(3R)-3-hydroxypiperidin-1-yl]-[4-[4-[methyl-[2-(4-methylphenoxy)ethyl]amino]piperidin-1-yl]phenyl]methanone

[(3R)-3-hydroxypiperidin-1-yl]-[4-[4-[methyl-[2-(4-methylphenoxy)ethyl]amino]piperidin-1-yl]phenyl]methanone (PubChem CID 26342515) has the molecular formula C27H37N3O3 and a molecular weight of 451.61 g/mol. Its IUPAC name is [(3R)-3-hydroxypiperidin-1-yl]-[4-[4-[methyl-[2-(4-methylphenoxy)ethyl]amino]piperidin-1-yl]phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxypiperidin-1-yl]-[4-[4-[methyl-[2-(4-methylphenoxy)ethyl]amino]piperidin-1-yl]phenyl]methanone
PubChem CID26342515
Molecular FormulaC27H37N3O3
Molecular Weight451.61 g/mol
Exact Mass451.28
IUPAC Name[(3R)-3-hydroxypiperidin-1-yl]-[4-[4-[methyl-[2-(4-methylphenoxy)ethyl]amino]piperidin-1-yl]phenyl]methanone
SMILESCc1ccc(OCCN(C)C2CCN(c3ccc(C(=O)N4CCC[C@@H](O)C4)cc3)CC2)cc1
InChIInChI=1S/C27H37N3O3/c1-21-5-11-26(12-6-21)33-19-18-28(2)23-13-16-29(17-14-23)24-9-7-22(8-10-24)27(32)30-15-3-4-25(31)20-30/h5-12,23,25,31H,3-4,13-20H2,1-2H3/t25-/m1/s1
InChIKeyUHLWPJZHHJRNPM-RUZDIDTESA-N
XLogP3.57
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.61
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-hydroxypiperidin-1-yl]-[4-[4-[methyl-[2-(4-methylphenoxy)ethyl]amino]piperidin-1-yl]phenyl]methanone with MolForge

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Related Compounds

(3-hydroxypiperidin-1-yl)-(4-pentoxyphenyl)methanone
CID 110878335
[4-[4-(cyclohexylamino)piperidin-1-yl]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 118755342
[(3S)-3-hydroxypiperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 39950124
(4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261765
N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine;ethane
CID 144962995
[(3R)-3-hydroxypiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 51458046
[4-(diethylamino)phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224194
N-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097896
1-(4-methylbenzoyl)-N-(2-phenoxyethyl)piperidine-3-carboxamide
CID 46481032
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
[(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 93032469
(3-hydroxypiperidin-1-yl)-(4-iodophenyl)methanone
CID 43390619

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxypiperidin-1-yl]-[4-[4-[methyl-[2-(4-methylphenoxy)ethyl]amino]piperidin-1-yl]phenyl]methanone?
The IUPAC name of [(3R)-3-hydroxypiperidin-1-yl]-[4-[4-[methyl-[2-(4-methylphenoxy)ethyl]amino]piperidin-1-yl]phenyl]methanone (CID 26342515) is [(3R)-3-hydroxypiperidin-1-yl]-[4-[4-[methyl-[2-(4-methylphenoxy)ethyl]amino]piperidin-1-yl]phenyl]methanone.
What is the SMILES notation for [(3R)-3-hydroxypiperidin-1-yl]-[4-[4-[methyl-[2-(4-methylphenoxy)ethyl]amino]piperidin-1-yl]phenyl]methanone?
The canonical SMILES for [(3R)-3-hydroxypiperidin-1-yl]-[4-[4-[methyl-[2-(4-methylphenoxy)ethyl]amino]piperidin-1-yl]phenyl]methanone is Cc1ccc(OCCN(C)C2CCN(c3ccc(C(=O)N4CCC[C@@H](O)C4)cc3)CC2)cc1.
What is the InChIKey of [(3R)-3-hydroxypiperidin-1-yl]-[4-[4-[methyl-[2-(4-methylphenoxy)ethyl]amino]piperidin-1-yl]phenyl]methanone?
The InChIKey is UHLWPJZHHJRNPM-RUZDIDTESA-N. The full InChI is InChI=1S/C27H37N3O3/c1-21-5-11-26(12-6-21)33-19-18-28(2)23-13-16-29(17-14-23)24-9-7-22(8-10-24)27(32)30-15-3-4-25(31)20-30/h5-12,23,25,31H,3-4,13-20H2,1-2H3/t25-/m1/s1.
What are the key properties of [(3R)-3-hydroxypiperidin-1-yl]-[4-[4-[methyl-[2-(4-methylphenoxy)ethyl]amino]piperidin-1-yl]phenyl]methanone?
[(3R)-3-hydroxypiperidin-1-yl]-[4-[4-[methyl-[2-(4-methylphenoxy)ethyl]amino]piperidin-1-yl]phenyl]methanone has a molecular weight of 451.61 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxypiperidin-1-yl]-[4-[4-[methyl-[2-(4-methylphenoxy)ethyl]amino]piperidin-1-yl]phenyl]methanone is sourced from PubChem (CID 26342515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).