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

C21H33N3O2 — CID 109032718

IUPAC3-(2-ethylpiperidin-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCCC1CCCCN1CCC(=O)N1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C21H33N3O2/c1-3-18-6-4-5-12-22(18)13-11-21(25)24-16-14-23(15-17-24)19-7-9-20(26-2)10-8-19/h7-10,18H,3-6,11-17H2,1-2H3
InChIKeyPQZIGDYDNADLPI-UHFFFAOYSA-N
MW359.51 g/mol
LogP3.00
Rot. Bonds6

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

3-(2-ethylpiperidin-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 109032718) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 3-(2-ethylpiperidin-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-ethylpiperidin-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID109032718
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name3-(2-ethylpiperidin-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCCC1CCCCN1CCC(=O)N1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C21H33N3O2/c1-3-18-6-4-5-12-22(18)13-11-21(25)24-16-14-23(15-17-24)19-7-9-20(26-2)10-8-19/h7-10,18H,3-6,11-17H2,1-2H3
InChIKeyPQZIGDYDNADLPI-UHFFFAOYSA-N
XLogP3.00
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethylpiperidin-1-yl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propane-1,3-dione
CID 108952190
3-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)propanamide
CID 109032752
3-(4-ethylpiperazin-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109017688
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 51226334
1-(4-acetylpiperazin-1-yl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109018165
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110688472
1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]propan-1-one
CID 58748767
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 92612922
N-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113159295
3-(dipropylamino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109033107
2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60637810
2-(4-methoxyphenyl)-1-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]ethanone
CID 113078995

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpiperidin-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(2-ethylpiperidin-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one (CID 109032718) is 3-(2-ethylpiperidin-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-ethylpiperidin-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-ethylpiperidin-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one is CCC1CCCCN1CCC(=O)N1CCN(c2ccc(OC)cc2)CC1.
What is the InChIKey of 3-(2-ethylpiperidin-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is PQZIGDYDNADLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-3-18-6-4-5-12-22(18)13-11-21(25)24-16-14-23(15-17-24)19-7-9-20(26-2)10-8-19/h7-10,18H,3-6,11-17H2,1-2H3.
What are the key properties of 3-(2-ethylpiperidin-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one?
3-(2-ethylpiperidin-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 359.51 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpiperidin-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 109032718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).