2-(2-methylphenoxy)-1-[4-(piperidine-4-carbonyl)piperazin-1-yl]propan-1-one

C20H29N3O3 — CID 119331005

IUPAC2-(2-methylphenoxy)-1-[4-(piperidine-4-carbonyl)piperazin-1-yl]propan-1-one
SMILESCc1ccccc1OC(C)C(=O)N1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C20H29N3O3/c1-15-5-3-4-6-18(15)26-16(2)19(24)22-11-13-23(14-12-22)20(25)17-7-9-21-10-8-17/h3-6,16-17,21H,7-14H2,1-2H3
InChIKeyUMIRFQMEYSNIGB-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.43
Rot. Bonds4

About 2-(2-methylphenoxy)-1-[4-(piperidine-4-carbonyl)piperazin-1-yl]propan-1-one

2-(2-methylphenoxy)-1-[4-(piperidine-4-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 119331005) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-1-[4-(piperidine-4-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(2-methylphenoxy)-1-[4-(piperidine-4-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID119331005
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name2-(2-methylphenoxy)-1-[4-(piperidine-4-carbonyl)piperazin-1-yl]propan-1-one
SMILESCc1ccccc1OC(C)C(=O)N1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C20H29N3O3/c1-15-5-3-4-6-18(15)26-16(2)19(24)22-11-13-23(14-12-22)20(25)17-7-9-21-10-8-17/h3-6,16-17,21H,7-14H2,1-2H3
InChIKeyUMIRFQMEYSNIGB-UHFFFAOYSA-N
XLogP1.43
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one;hydrochloride
CID 119796826
2-(2-methylphenoxy)-1-[4-(piperidine-2-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119330992
2-(4-chloro-2-methylphenoxy)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one
CID 55340400
(2S)-2-amino-3-methyl-1-[4-[2-(2-methylphenoxy)propanoyl]piperazin-1-yl]butan-1-one;hydrochloride
CID 119331024
2-(2-methoxyphenoxy)-1-piperazin-1-ylpropan-1-one
CID 24705201
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one
CID 38010558
2-(2,3-dimethylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 42904169
2-(2-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 2976964
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one
CID 4039169
(2S)-2-(2-methylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one
CID 7375104
(2S)-2-(2-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 1254913
4-[4-[(2S)-2-(2-methylphenoxy)propanoyl]piperazin-1-yl]butanoic acid
CID 129381820

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-1-[4-(piperidine-4-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-(2-methylphenoxy)-1-[4-(piperidine-4-carbonyl)piperazin-1-yl]propan-1-one (CID 119331005) is 2-(2-methylphenoxy)-1-[4-(piperidine-4-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-(2-methylphenoxy)-1-[4-(piperidine-4-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-(2-methylphenoxy)-1-[4-(piperidine-4-carbonyl)piperazin-1-yl]propan-1-one is Cc1ccccc1OC(C)C(=O)N1CCN(C(=O)C2CCNCC2)CC1.
What is the InChIKey of 2-(2-methylphenoxy)-1-[4-(piperidine-4-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is UMIRFQMEYSNIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-15-5-3-4-6-18(15)26-16(2)19(24)22-11-13-23(14-12-22)20(25)17-7-9-21-10-8-17/h3-6,16-17,21H,7-14H2,1-2H3.
What are the key properties of 2-(2-methylphenoxy)-1-[4-(piperidine-4-carbonyl)piperazin-1-yl]propan-1-one?
2-(2-methylphenoxy)-1-[4-(piperidine-4-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 359.47 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-1-[4-(piperidine-4-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 119331005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).