2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide

C18H27N3O2 — CID 111496595

IUPAC2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESC=CCN(CCO)CC(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H27N3O2/c1-2-10-20(13-14-22)15-18(23)19-16-6-8-17(9-7-16)21-11-4-3-5-12-21/h2,6-9,22H,1,3-5,10-15H2,(H,19,23)
InChIKeyPCUCFNQFOYOXPR-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.10
Rot. Bonds8

About 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide

2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 111496595) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID111496595
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESC=CCN(CCO)CC(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H27N3O2/c1-2-10-20(13-14-22)15-18(23)19-16-6-8-17(9-7-16)21-11-4-3-5-12-21/h2,6-9,22H,1,3-5,10-15H2,(H,19,23)
InChIKeyPCUCFNQFOYOXPR-UHFFFAOYSA-N
XLogP2.10
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl(2-hydroxyethyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 110881174
2-[ethyl(2-hydroxyethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 31994583
N-(4-piperidin-1-ylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide
CID 78808517
2-(diethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 51178920
5-hydroxy-N-(4-pyrrolidin-1-ylphenyl)pentanamide
CID 79199227
2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 63680073
2-isocyano-N-(4-piperidin-1-ylphenyl)acetamide
CID 108814796
2-[(4-cyanophenyl)methyl-propylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 55841564
2-[butyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 109006153
N-(3-ethylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 111423165
3-[[2-(4-fluoroanilino)-2-oxoethyl]-prop-2-enylamino]propanoic acid
CID 82326611
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide (CID 111496595) is 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide is C=CCN(CCO)CC(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is PCUCFNQFOYOXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-2-10-20(13-14-22)15-18(23)19-16-6-8-17(9-7-16)21-11-4-3-5-12-21/h2,6-9,22H,1,3-5,10-15H2,(H,19,23).
What are the key properties of 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide?
2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 317.43 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 111496595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).