2-(2,4-dimethylpiperazin-1-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide

C19H31N3O2 — CID 71877575

IUPAC2-(2,4-dimethylpiperazin-1-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
SMILESCC(C)Oc1ccc(CCNC(=O)CN2CCN(C)CC2C)cc1
InChIInChI=1S/C19H31N3O2/c1-15(2)24-18-7-5-17(6-8-18)9-10-20-19(23)14-22-12-11-21(4)13-16(22)3/h5-8,15-16H,9-14H2,1-4H3,(H,20,23)
InChIKeyPOKOULGADGHYGS-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.77
Rot. Bonds7

About 2-(2,4-dimethylpiperazin-1-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide

2-(2,4-dimethylpiperazin-1-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide (PubChem CID 71877575) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-(2,4-dimethylpiperazin-1-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylpiperazin-1-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
PubChem CID71877575
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name2-(2,4-dimethylpiperazin-1-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
SMILESCC(C)Oc1ccc(CCNC(=O)CN2CCN(C)CC2C)cc1
InChIInChI=1S/C19H31N3O2/c1-15(2)24-18-7-5-17(6-8-18)9-10-20-19(23)14-22-12-11-21(4)13-16(22)3/h5-8,15-16H,9-14H2,1-4H3,(H,20,23)
InChIKeyPOKOULGADGHYGS-UHFFFAOYSA-N
XLogP1.77
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
CID 112801951
2-[(2R)-2,4-dimethylpiperazin-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 124742784
2-(3-hydroxypiperidin-1-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 110897518
2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 119919489
2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride
CID 119919488
4-(hydroxymethyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide
CID 110896048
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 87012622
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,4-dimethylpiperazin-1-yl)acetamide
CID 71877589
1-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 132650772
N-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide
CID 97092465
3-amino-2-hydroxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 115180759
N-[2-(4-propan-2-yloxyphenyl)ethyl]thietane-3-carboxamide
CID 126828920

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpiperazin-1-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2,4-dimethylpiperazin-1-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide (CID 71877575) is 2-(2,4-dimethylpiperazin-1-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylpiperazin-1-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2,4-dimethylpiperazin-1-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide is CC(C)Oc1ccc(CCNC(=O)CN2CCN(C)CC2C)cc1.
What is the InChIKey of 2-(2,4-dimethylpiperazin-1-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide?
The InChIKey is POKOULGADGHYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-15(2)24-18-7-5-17(6-8-18)9-10-20-19(23)14-22-12-11-21(4)13-16(22)3/h5-8,15-16H,9-14H2,1-4H3,(H,20,23).
What are the key properties of 2-(2,4-dimethylpiperazin-1-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide?
2-(2,4-dimethylpiperazin-1-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide has a molecular weight of 333.48 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpiperazin-1-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide is sourced from PubChem (CID 71877575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).