1-[4-[2-(4-chloro-2-methylphenoxy)propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one

C19H27ClN2O3 — CID 134021434

IUPAC1-[4-[2-(4-chloro-2-methylphenoxy)propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCc1cc(Cl)ccc1OC(C)C(=O)N1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C19H27ClN2O3/c1-13-12-15(20)6-7-16(13)25-14(2)17(23)21-8-10-22(11-9-21)18(24)19(3,4)5/h6-7,12,14H,8-11H2,1-5H3
InChIKeyIMUASCZHPOPLNR-UHFFFAOYSA-N
MW366.89 g/mol
LogP3.13
Rot. Bonds3

About 1-[4-[2-(4-chloro-2-methylphenoxy)propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one

1-[4-[2-(4-chloro-2-methylphenoxy)propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 134021434) has the molecular formula C19H27ClN2O3 and a molecular weight of 366.89 g/mol. Its IUPAC name is 1-[4-[2-(4-chloro-2-methylphenoxy)propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[2-(4-chloro-2-methylphenoxy)propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID134021434
Molecular FormulaC19H27ClN2O3
Molecular Weight366.89 g/mol
Exact Mass366.17
IUPAC Name1-[4-[2-(4-chloro-2-methylphenoxy)propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCc1cc(Cl)ccc1OC(C)C(=O)N1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C19H27ClN2O3/c1-13-12-15(20)6-7-16(13)25-14(2)17(23)21-8-10-22(11-9-21)18(24)19(3,4)5/h6-7,12,14H,8-11H2,1-5H3
InChIKeyIMUASCZHPOPLNR-UHFFFAOYSA-N
XLogP3.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[2-(4-chloro-2-methylphenoxy)propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

2-(4-chloro-2-methylphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 3393677
(2S)-2-(4-chloro-2-methylphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 1220793
(2R)-2-(4-chloro-2-methylphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 1220794
(2R)-2-(4-chloro-2-methylphenoxy)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one
CID 31868158
2-(4-chloro-2-methylphenoxy)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one
CID 55340400
2-(4-chloro-2-methylphenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43391831
2-(4-chloro-2-methylphenoxy)-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 43390775
N-butan-2-yl-2-[4-[2-(4-chloro-2-methylphenoxy)propanoyl]piperazin-1-yl]acetamide
CID 55563733
(2S)-2-(4-chloro-2-methylphenoxy)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 7346685
2-(4-chloro-2-methylphenoxy)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 2970851
2-[[1-[2-(4-chloro-2-methylphenoxy)propanoyl]piperidin-4-yl]-methylamino]acetic acid
CID 129003108
1-(4-benzylpiperidin-1-yl)-2-(4-chloro-2-methylphenoxy)propan-1-one
CID 4143277

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-chloro-2-methylphenoxy)propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[2-(4-chloro-2-methylphenoxy)propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one (CID 134021434) is 1-[4-[2-(4-chloro-2-methylphenoxy)propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[2-(4-chloro-2-methylphenoxy)propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[2-(4-chloro-2-methylphenoxy)propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one is Cc1cc(Cl)ccc1OC(C)C(=O)N1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 1-[4-[2-(4-chloro-2-methylphenoxy)propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is IMUASCZHPOPLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O3/c1-13-12-15(20)6-7-16(13)25-14(2)17(23)21-8-10-22(11-9-21)18(24)19(3,4)5/h6-7,12,14H,8-11H2,1-5H3.
What are the key properties of 1-[4-[2-(4-chloro-2-methylphenoxy)propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-[2-(4-chloro-2-methylphenoxy)propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 366.89 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-chloro-2-methylphenoxy)propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 134021434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).