(3R)-1-(oxan-4-yl)-3-[4-(2-phenoxyacetyl)piperazin-1-yl]piperidin-2-one

C22H31N3O4 — CID 97342885

IUPAC(3R)-1-(oxan-4-yl)-3-[4-(2-phenoxyacetyl)piperazin-1-yl]piperidin-2-one
SMILESO=C(COc1ccccc1)N1CCN([C@@H]2CCCN(C3CCOCC3)C2=O)CC1
InChIInChI=1S/C22H31N3O4/c26-21(17-29-19-5-2-1-3-6-19)24-13-11-23(12-14-24)20-7-4-10-25(22(20)27)18-8-15-28-16-9-18/h1-3,5-6,18,20H,4,7-17H2/t20-/m1/s1
InChIKeyMRLPYBHYRXPMGK-HXUWFJFHSA-N
MW401.51 g/mol
LogP1.38
Rot. Bonds5

About (3R)-1-(oxan-4-yl)-3-[4-(2-phenoxyacetyl)piperazin-1-yl]piperidin-2-one

(3R)-1-(oxan-4-yl)-3-[4-(2-phenoxyacetyl)piperazin-1-yl]piperidin-2-one (PubChem CID 97342885) has the molecular formula C22H31N3O4 and a molecular weight of 401.51 g/mol. Its IUPAC name is (3R)-1-(oxan-4-yl)-3-[4-(2-phenoxyacetyl)piperazin-1-yl]piperidin-2-one.

Molecular Properties

Compound Name(3R)-1-(oxan-4-yl)-3-[4-(2-phenoxyacetyl)piperazin-1-yl]piperidin-2-one
PubChem CID97342885
Molecular FormulaC22H31N3O4
Molecular Weight401.51 g/mol
Exact Mass401.23
IUPAC Name(3R)-1-(oxan-4-yl)-3-[4-(2-phenoxyacetyl)piperazin-1-yl]piperidin-2-one
SMILESO=C(COc1ccccc1)N1CCN([C@@H]2CCCN(C3CCOCC3)C2=O)CC1
InChIInChI=1S/C22H31N3O4/c26-21(17-29-19-5-2-1-3-6-19)24-13-11-23(12-14-24)20-7-4-10-25(22(20)27)18-8-15-28-16-9-18/h1-3,5-6,18,20H,4,7-17H2/t20-/m1/s1
InChIKeyMRLPYBHYRXPMGK-HXUWFJFHSA-N
XLogP1.38
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-1-(oxan-4-yl)-3-[4-(2-phenoxyacetyl)piperazin-1-yl]piperidin-2-one with MolForge

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Related Compounds

3-(4-benzoylpiperazin-1-yl)-1-(oxan-4-yl)piperidin-2-one
CID 75473640
(3S)-3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one
CID 97342882
N,N-diethyl-4-[(3S)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carboxamide
CID 97344660
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
3-[4-[(5-ethoxy-2-pyridinyl)methyl]piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one
CID 75474285
1-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4-phenylphenoxy)ethanone
CID 35527670
(3R)-3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-phenylpiperidin-2-one
CID 97317129
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 110797836
1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethoxyphenoxy)ethanone
CID 134020442
1-(4-cyclopentylpiperazin-1-yl)-2-(4-methoxyphenoxy)ethanone;oxalic acid
CID 2878195
1-(4-cyclopentylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid
CID 2880120
1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 55630806

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(oxan-4-yl)-3-[4-(2-phenoxyacetyl)piperazin-1-yl]piperidin-2-one?
The IUPAC name of (3R)-1-(oxan-4-yl)-3-[4-(2-phenoxyacetyl)piperazin-1-yl]piperidin-2-one (CID 97342885) is (3R)-1-(oxan-4-yl)-3-[4-(2-phenoxyacetyl)piperazin-1-yl]piperidin-2-one.
What is the SMILES notation for (3R)-1-(oxan-4-yl)-3-[4-(2-phenoxyacetyl)piperazin-1-yl]piperidin-2-one?
The canonical SMILES for (3R)-1-(oxan-4-yl)-3-[4-(2-phenoxyacetyl)piperazin-1-yl]piperidin-2-one is O=C(COc1ccccc1)N1CCN([C@@H]2CCCN(C3CCOCC3)C2=O)CC1.
What is the InChIKey of (3R)-1-(oxan-4-yl)-3-[4-(2-phenoxyacetyl)piperazin-1-yl]piperidin-2-one?
The InChIKey is MRLPYBHYRXPMGK-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H31N3O4/c26-21(17-29-19-5-2-1-3-6-19)24-13-11-23(12-14-24)20-7-4-10-25(22(20)27)18-8-15-28-16-9-18/h1-3,5-6,18,20H,4,7-17H2/t20-/m1/s1.
What are the key properties of (3R)-1-(oxan-4-yl)-3-[4-(2-phenoxyacetyl)piperazin-1-yl]piperidin-2-one?
(3R)-1-(oxan-4-yl)-3-[4-(2-phenoxyacetyl)piperazin-1-yl]piperidin-2-one has a molecular weight of 401.51 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(oxan-4-yl)-3-[4-(2-phenoxyacetyl)piperazin-1-yl]piperidin-2-one is sourced from PubChem (CID 97342885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).