3-propan-2-yl-4-[(3-propoxyphenyl)methyl]piperazin-2-one

C17H26N2O2 — CID 119039263

IUPAC3-propan-2-yl-4-[(3-propoxyphenyl)methyl]piperazin-2-one
SMILESCCCOc1cccc(CN2CCNC(=O)C2C(C)C)c1
InChIInChI=1S/C17H26N2O2/c1-4-10-21-15-7-5-6-14(11-15)12-19-9-8-18-17(20)16(19)13(2)3/h5-7,11,13,16H,4,8-10,12H2,1-3H3,(H,18,20)
InChIKeyPZSGJCIAKSAJLY-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.43
Rot. Bonds6

About 3-propan-2-yl-4-[(3-propoxyphenyl)methyl]piperazin-2-one

3-propan-2-yl-4-[(3-propoxyphenyl)methyl]piperazin-2-one (PubChem CID 119039263) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-propan-2-yl-4-[(3-propoxyphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name3-propan-2-yl-4-[(3-propoxyphenyl)methyl]piperazin-2-one
PubChem CID119039263
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-propan-2-yl-4-[(3-propoxyphenyl)methyl]piperazin-2-one
SMILESCCCOc1cccc(CN2CCNC(=O)C2C(C)C)c1
InChIInChI=1S/C17H26N2O2/c1-4-10-21-15-7-5-6-14(11-15)12-19-9-8-18-17(20)16(19)13(2)3/h5-7,11,13,16H,4,8-10,12H2,1-3H3,(H,18,20)
InChIKeyPZSGJCIAKSAJLY-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-oxopiperazin-2-yl]acetic acid
CID 54848549
2-[1-[[3-(3-methylbutoxy)phenyl]methyl]-3-oxopiperazin-2-yl]acetohydrazide
CID 54847910
4-(methoxymethyl)-2-[3-[[(2S)-3-oxo-2-propan-2-ylpiperazin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one
CID 135956802
1-[(3-propoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 65056024
2-[3-oxo-1-[(3-propan-2-yloxyphenyl)methyl]piperazin-2-yl]acetohydrazide
CID 54847941
4-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]-3-propan-2-ylpiperazin-2-one
CID 70769632
1-methyl-4-[(3-propoxyphenyl)methyl]piperazine
CID 70470634
2-(1H-imidazol-2-yl)-1-[(3-propoxyphenyl)methyl]piperidine
CID 126777611
1-[[3-(3-methylbutoxy)phenyl]methyl]piperazine
CID 4279742
N-methyl-2-[(2S)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]-N-propan-2-ylacetamide
CID 95720629
[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]methanol
CID 54794443
4-ethyl-5-[(3-propoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66208683

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-4-[(3-propoxyphenyl)methyl]piperazin-2-one?
The IUPAC name of 3-propan-2-yl-4-[(3-propoxyphenyl)methyl]piperazin-2-one (CID 119039263) is 3-propan-2-yl-4-[(3-propoxyphenyl)methyl]piperazin-2-one.
What is the SMILES notation for 3-propan-2-yl-4-[(3-propoxyphenyl)methyl]piperazin-2-one?
The canonical SMILES for 3-propan-2-yl-4-[(3-propoxyphenyl)methyl]piperazin-2-one is CCCOc1cccc(CN2CCNC(=O)C2C(C)C)c1.
What is the InChIKey of 3-propan-2-yl-4-[(3-propoxyphenyl)methyl]piperazin-2-one?
The InChIKey is PZSGJCIAKSAJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-10-21-15-7-5-6-14(11-15)12-19-9-8-18-17(20)16(19)13(2)3/h5-7,11,13,16H,4,8-10,12H2,1-3H3,(H,18,20).
What are the key properties of 3-propan-2-yl-4-[(3-propoxyphenyl)methyl]piperazin-2-one?
3-propan-2-yl-4-[(3-propoxyphenyl)methyl]piperazin-2-one has a molecular weight of 290.41 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-4-[(3-propoxyphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 119039263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).