1-[4-(3,4-dihydro-2H-pyran-2-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one

C20H28N2O3 — CID 167920245

IUPAC1-[4-(3,4-dihydro-2H-pyran-2-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCN(CC3CCC=CO3)CC2)cc1
InChIInChI=1S/C20H28N2O3/c1-24-18-8-5-17(6-9-18)7-10-20(23)22-13-11-21(12-14-22)16-19-4-2-3-15-25-19/h3,5-6,8-9,15,19H,2,4,7,10-14,16H2,1H3
InChIKeyRMTRURVYSAUZHK-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.46
Rot. Bonds6

About 1-[4-(3,4-dihydro-2H-pyran-2-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one

1-[4-(3,4-dihydro-2H-pyran-2-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one (PubChem CID 167920245) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[4-(3,4-dihydro-2H-pyran-2-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[4-(3,4-dihydro-2H-pyran-2-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
PubChem CID167920245
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name1-[4-(3,4-dihydro-2H-pyran-2-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCN(CC3CCC=CO3)CC2)cc1
InChIInChI=1S/C20H28N2O3/c1-24-18-8-5-17(6-9-18)7-10-20(23)22-13-11-21(12-14-22)16-19-4-2-3-15-25-19/h3,5-6,8-9,15,19H,2,4,7,10-14,16H2,1H3
InChIKeyRMTRURVYSAUZHK-UHFFFAOYSA-N
XLogP2.46
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]acetic acid
CID 119134967
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110346884
1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110365914
1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 71783123
1-[4-(3-aminopropanoyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 119306765
3-(4-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 25236883
1-[4-[(1R)-cyclohex-3-ene-1-carbonyl]-1,4-diazepan-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 52511912
1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 110709767
3-(4-methoxyphenyl)-1-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
CID 110395779
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 41307378
3-(4-methoxyphenyl)-1-(4-methylsulfonylpiperidin-1-yl)propan-1-one
CID 71805673
3-(4-methoxyphenyl)-1-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]propan-1-one
CID 171142299

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dihydro-2H-pyran-2-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 1-[4-(3,4-dihydro-2H-pyran-2-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one (CID 167920245) is 1-[4-(3,4-dihydro-2H-pyran-2-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[4-(3,4-dihydro-2H-pyran-2-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-[4-(3,4-dihydro-2H-pyran-2-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one is COc1ccc(CCC(=O)N2CCN(CC3CCC=CO3)CC2)cc1.
What is the InChIKey of 1-[4-(3,4-dihydro-2H-pyran-2-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one?
The InChIKey is RMTRURVYSAUZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-24-18-8-5-17(6-9-18)7-10-20(23)22-13-11-21(12-14-22)16-19-4-2-3-15-25-19/h3,5-6,8-9,15,19H,2,4,7,10-14,16H2,1H3.
What are the key properties of 1-[4-(3,4-dihydro-2H-pyran-2-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one?
1-[4-(3,4-dihydro-2H-pyran-2-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one has a molecular weight of 344.46 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dihydro-2H-pyran-2-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 167920245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).