(4-pentan-3-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone

C19H30N2O4 — CID 1131674

IUPAC(4-pentan-3-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCCC(CC)N1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1
InChIInChI=1S/C19H30N2O4/c1-6-15(7-2)20-8-10-21(11-9-20)19(22)14-12-16(23-3)18(25-5)17(13-14)24-4/h12-13,15H,6-11H2,1-5H3
InChIKeySLUSHLDRCSCMEQ-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.66
Rot. Bonds7

About (4-pentan-3-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone

(4-pentan-3-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 1131674) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is (4-pentan-3-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-pentan-3-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID1131674
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Name(4-pentan-3-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCCC(CC)N1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1
InChIInChI=1S/C19H30N2O4/c1-6-15(7-2)20-8-10-21(11-9-20)19(22)14-12-16(23-3)18(25-5)17(13-14)24-4/h12-13,15H,6-11H2,1-5H3
InChIKeySLUSHLDRCSCMEQ-UHFFFAOYSA-N
XLogP2.66
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-pentan-3-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (4-pentan-3-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 1131674) is (4-pentan-3-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (4-pentan-3-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (4-pentan-3-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone is CCC(CC)N1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1.
What is the InChIKey of (4-pentan-3-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is SLUSHLDRCSCMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-6-15(7-2)20-8-10-21(11-9-20)19(22)14-12-16(23-3)18(25-5)17(13-14)24-4/h12-13,15H,6-11H2,1-5H3.
What are the key properties of (4-pentan-3-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
(4-pentan-3-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 350.46 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pentan-3-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 1131674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).