(3R)-4-[(2-ethoxyphenyl)methyl]-3-[2-(1,4-oxazepan-4-yl)-2-oxoethyl]piperazin-2-one

C20H29N3O4 — CID 95714986

IUPAC(3R)-4-[(2-ethoxyphenyl)methyl]-3-[2-(1,4-oxazepan-4-yl)-2-oxoethyl]piperazin-2-one
SMILESCCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N1CCCOCC1
InChIInChI=1S/C20H29N3O4/c1-2-27-18-7-4-3-6-16(18)15-23-10-8-21-20(25)17(23)14-19(24)22-9-5-12-26-13-11-22/h3-4,6-7,17H,2,5,8-15H2,1H3,(H,21,25)/t17-/m1/s1
InChIKeyACPPFNOFDNEUIY-QGZVFWFLSA-N
MW375.47 g/mol
LogP1.02
Rot. Bonds6

About (3R)-4-[(2-ethoxyphenyl)methyl]-3-[2-(1,4-oxazepan-4-yl)-2-oxoethyl]piperazin-2-one

(3R)-4-[(2-ethoxyphenyl)methyl]-3-[2-(1,4-oxazepan-4-yl)-2-oxoethyl]piperazin-2-one (PubChem CID 95714986) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is (3R)-4-[(2-ethoxyphenyl)methyl]-3-[2-(1,4-oxazepan-4-yl)-2-oxoethyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-4-[(2-ethoxyphenyl)methyl]-3-[2-(1,4-oxazepan-4-yl)-2-oxoethyl]piperazin-2-one
PubChem CID95714986
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name(3R)-4-[(2-ethoxyphenyl)methyl]-3-[2-(1,4-oxazepan-4-yl)-2-oxoethyl]piperazin-2-one
SMILESCCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N1CCCOCC1
InChIInChI=1S/C20H29N3O4/c1-2-27-18-7-4-3-6-16(18)15-23-10-8-21-20(25)17(23)14-19(24)22-9-5-12-26-13-11-22/h3-4,6-7,17H,2,5,8-15H2,1H3,(H,21,25)/t17-/m1/s1
InChIKeyACPPFNOFDNEUIY-QGZVFWFLSA-N
XLogP1.02
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-4-[(2-ethoxyphenyl)methyl]-3-[2-(1,4-oxazepan-4-yl)-2-oxoethyl]piperazin-2-one with MolForge

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Related Compounds

(3R)-4-[(2-ethoxyphenyl)methyl]-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazin-2-one
CID 95722194
2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95723540
2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propylacetamide
CID 95708335
2-[(2S)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide
CID 42117202
4-[(2-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 45201951
N-(2-amino-2-oxoethyl)-2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 56906729
(3R)-4-(naphthalen-1-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 95708042
2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenylethyl)acetamide
CID 45252843
2-[(2S)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyridin-2-ylmethyl)acetamide
CID 42515124
2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 95723316
(3R)-3-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]piperazin-2-one
CID 25277529
(1S,11R)-2-[(2-ethoxyphenyl)methyl]-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110202335

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(2-ethoxyphenyl)methyl]-3-[2-(1,4-oxazepan-4-yl)-2-oxoethyl]piperazin-2-one?
The IUPAC name of (3R)-4-[(2-ethoxyphenyl)methyl]-3-[2-(1,4-oxazepan-4-yl)-2-oxoethyl]piperazin-2-one (CID 95714986) is (3R)-4-[(2-ethoxyphenyl)methyl]-3-[2-(1,4-oxazepan-4-yl)-2-oxoethyl]piperazin-2-one.
What is the SMILES notation for (3R)-4-[(2-ethoxyphenyl)methyl]-3-[2-(1,4-oxazepan-4-yl)-2-oxoethyl]piperazin-2-one?
The canonical SMILES for (3R)-4-[(2-ethoxyphenyl)methyl]-3-[2-(1,4-oxazepan-4-yl)-2-oxoethyl]piperazin-2-one is CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N1CCCOCC1.
What is the InChIKey of (3R)-4-[(2-ethoxyphenyl)methyl]-3-[2-(1,4-oxazepan-4-yl)-2-oxoethyl]piperazin-2-one?
The InChIKey is ACPPFNOFDNEUIY-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-2-27-18-7-4-3-6-16(18)15-23-10-8-21-20(25)17(23)14-19(24)22-9-5-12-26-13-11-22/h3-4,6-7,17H,2,5,8-15H2,1H3,(H,21,25)/t17-/m1/s1.
What are the key properties of (3R)-4-[(2-ethoxyphenyl)methyl]-3-[2-(1,4-oxazepan-4-yl)-2-oxoethyl]piperazin-2-one?
(3R)-4-[(2-ethoxyphenyl)methyl]-3-[2-(1,4-oxazepan-4-yl)-2-oxoethyl]piperazin-2-one has a molecular weight of 375.47 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(2-ethoxyphenyl)methyl]-3-[2-(1,4-oxazepan-4-yl)-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 95714986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).