1-(2-ethylpiperidin-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one

C21H33N3O — CID 109029372

IUPAC1-(2-ethylpiperidin-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
SMILESCCC1CCCCN1C(=O)CCN1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C21H33N3O/c1-3-19-8-4-5-11-24(19)21(25)10-12-22-13-15-23(16-14-22)20-9-6-7-18(2)17-20/h6-7,9,17,19H,3-5,8,10-16H2,1-2H3
InChIKeyISZFSCGCKFUCHQ-UHFFFAOYSA-N
MW343.51 g/mol
LogP3.30
Rot. Bonds5

About 1-(2-ethylpiperidin-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one

1-(2-ethylpiperidin-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one (PubChem CID 109029372) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
PubChem CID109029372
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC Name1-(2-ethylpiperidin-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
SMILESCCC1CCCCN1C(=O)CCN1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C21H33N3O/c1-3-19-8-4-5-11-24(19)21(25)10-12-22-13-15-23(16-14-22)20-9-6-7-18(2)17-20/h6-7,9,17,19H,3-5,8,10-16H2,1-2H3
InChIKeyISZFSCGCKFUCHQ-UHFFFAOYSA-N
XLogP3.30
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one (CID 109029372) is 1-(2-ethylpiperidin-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one is CCC1CCCCN1C(=O)CCN1CCN(c2cccc(C)c2)CC1.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is ISZFSCGCKFUCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-3-19-8-4-5-11-24(19)21(25)10-12-22-13-15-23(16-14-22)20-9-6-7-18(2)17-20/h6-7,9,17,19H,3-5,8,10-16H2,1-2H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
1-(2-ethylpiperidin-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 343.51 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 109029372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).