(3R)-3-[2-[4-(2-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one

C26H33N3O3 — CID 25457354

IUPAC(3R)-3-[2-[4-(2-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one
SMILESCc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCC(Oc3ccccc3C)CC2)cc1
InChIInChI=1S/C26H33N3O3/c1-19-7-9-21(10-8-19)18-29-16-13-27-26(31)23(29)17-25(30)28-14-11-22(12-15-28)32-24-6-4-3-5-20(24)2/h3-10,22-23H,11-18H2,1-2H3,(H,27,31)/t23-/m1/s1
InChIKeySIDDUAJNYRVOQO-HSZRJFAPSA-N
MW435.57 g/mol
LogP3.06
Rot. Bonds6

About (3R)-3-[2-[4-(2-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one

(3R)-3-[2-[4-(2-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one (PubChem CID 25457354) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is (3R)-3-[2-[4-(2-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-[2-[4-(2-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one
PubChem CID25457354
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name(3R)-3-[2-[4-(2-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one
SMILESCc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCC(Oc3ccccc3C)CC2)cc1
InChIInChI=1S/C26H33N3O3/c1-19-7-9-21(10-8-19)18-29-16-13-27-26(31)23(29)17-25(30)28-14-11-22(12-15-28)32-24-6-4-3-5-20(24)2/h3-10,22-23H,11-18H2,1-2H3,(H,27,31)/t23-/m1/s1
InChIKeySIDDUAJNYRVOQO-HSZRJFAPSA-N
XLogP3.06
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[2-[4-(2-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one with MolForge

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Related Compounds

(3S)-4-[(3-fluorophenyl)methyl]-3-[2-[4-(2-methylphenoxy)piperidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 42594951
3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one
CID 45191923
4-(2,2-dimethylpropyl)-3-[2-[4-(2-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 45213414
ethyl 2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 1382900
3-[2-(azocan-1-yl)-2-oxoethyl]-4-benzylpiperazin-2-one
CID 46984429
4-[(2-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 45201951
(3S)-4-[(4-methoxy-3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 95711036
(3R)-3-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-4-[(3-fluorophenyl)methyl]piperazin-2-one
CID 42404182
4-[(4-methylphenyl)methyl]-3-[2-oxo-2-(3-pyridin-4-ylazetidin-1-yl)ethyl]piperazin-2-one
CID 119069940
4-(furan-3-ylmethyl)-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]piperazin-2-one
CID 45227835
(3R)-4-(furan-3-ylmethyl)-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]piperazin-2-one
CID 26316866
(3R)-3-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]piperazin-2-one
CID 25277529

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-[4-(2-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one?
The IUPAC name of (3R)-3-[2-[4-(2-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one (CID 25457354) is (3R)-3-[2-[4-(2-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one.
What is the SMILES notation for (3R)-3-[2-[4-(2-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one?
The canonical SMILES for (3R)-3-[2-[4-(2-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one is Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCC(Oc3ccccc3C)CC2)cc1.
What is the InChIKey of (3R)-3-[2-[4-(2-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one?
The InChIKey is SIDDUAJNYRVOQO-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-19-7-9-21(10-8-19)18-29-16-13-27-26(31)23(29)17-25(30)28-14-11-22(12-15-28)32-24-6-4-3-5-20(24)2/h3-10,22-23H,11-18H2,1-2H3,(H,27,31)/t23-/m1/s1.
What are the key properties of (3R)-3-[2-[4-(2-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one?
(3R)-3-[2-[4-(2-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one has a molecular weight of 435.57 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-[4-(2-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 25457354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).