3-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)propanamide

C18H29N3O2 — CID 109017718

IUPAC3-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCCN1CCN(CCC(=O)Nc2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C18H29N3O2/c1-4-20-11-13-21(14-12-20)10-9-18(22)19-16-5-7-17(8-6-16)23-15(2)3/h5-8,15H,4,9-14H2,1-3H3,(H,19,22)
InChIKeySKHROKKKPPWERI-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.44
Rot. Bonds7

About 3-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)propanamide

3-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 109017718) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)propanamide
PubChem CID109017718
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name3-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCCN1CCN(CCC(=O)Nc2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C18H29N3O2/c1-4-20-11-13-21(14-12-20)10-9-18(22)19-16-5-7-17(8-6-16)23-15(2)3/h5-8,15H,4,9-14H2,1-3H3,(H,19,22)
InChIKeySKHROKKKPPWERI-UHFFFAOYSA-N
XLogP2.44
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]piperazine-1-carboxylate
CID 109029167
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
2-[4-(4-ethylpiperazin-1-yl)butyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111060405
3-(4-ethylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109017734
2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109254254
N'-(4-propan-2-yloxyphenyl)butanediamide
CID 94268902
4-chloro-N-(4-propan-2-yloxyphenyl)butanamide
CID 17161001
N-(3-amino-4-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 119419850
5-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109230669
2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109168784
3-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 28969935
3-(4-ethylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109036370

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)propanamide (CID 109017718) is 3-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)propanamide is CCN1CCN(CCC(=O)Nc2ccc(OC(C)C)cc2)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is SKHROKKKPPWERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-4-20-11-13-21(14-12-20)10-9-18(22)19-16-5-7-17(8-6-16)23-15(2)3/h5-8,15H,4,9-14H2,1-3H3,(H,19,22).
What are the key properties of 3-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)propanamide?
3-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)propanamide has a molecular weight of 319.45 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 109017718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).