3-(4-ethylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide

C20H32N4O — CID 109017734

IUPAC3-(4-ethylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
SMILESCCN1CCN(CCC(=O)Nc2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C20H32N4O/c1-2-22-14-16-23(17-15-22)13-10-20(25)21-18-6-8-19(9-7-18)24-11-4-3-5-12-24/h6-9H,2-5,10-17H2,1H3,(H,21,25)
InChIKeyZRKNXEOQZTXUIM-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.64
Rot. Bonds6

About 3-(4-ethylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide

3-(4-ethylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide (PubChem CID 109017734) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
PubChem CID109017734
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name3-(4-ethylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
SMILESCCN1CCN(CCC(=O)Nc2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C20H32N4O/c1-2-22-14-16-23(17-15-22)13-10-20(25)21-18-6-8-19(9-7-18)24-11-4-3-5-12-24/h6-9H,2-5,10-17H2,1H3,(H,21,25)
InChIKeyZRKNXEOQZTXUIM-UHFFFAOYSA-N
XLogP2.64
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[3-oxo-3-(4-piperidin-1-ylanilino)propyl]piperazine-1-carboxylate
CID 109029182
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
N-(4-piperidin-1-ylphenyl)-3-pyrazol-1-ylpropanamide
CID 87038105
3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 9328434
3-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109017718
N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781
3-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 43701399
3-acetamido-N-[4-(azepan-1-yl)phenyl]propanamide
CID 17462050
2-(2-piperidin-1-ylethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 43816687
N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661863
3-methylsulfanyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 18165019
N-(4-cyanophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 30400948

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide (CID 109017734) is 3-(4-ethylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide is CCN1CCN(CCC(=O)Nc2ccc(N3CCCCC3)cc2)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide?
The InChIKey is ZRKNXEOQZTXUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-2-22-14-16-23(17-15-22)13-10-20(25)21-18-6-8-19(9-7-18)24-11-4-3-5-12-24/h6-9H,2-5,10-17H2,1H3,(H,21,25).
What are the key properties of 3-(4-ethylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide?
3-(4-ethylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide has a molecular weight of 344.50 g/mol, XLogP of 2.64, 6 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-piperidin-1-ylphenyl)propanamide is sourced from PubChem (CID 109017734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).