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

C21H27N3OS — CID 78808517

IUPACN-(4-piperidin-1-ylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide
SMILESC=CCN(CC(=O)Nc1ccc(N2CCCCC2)cc1)Cc1cccs1
InChIInChI=1S/C21H27N3OS/c1-2-12-23(16-20-7-6-15-26-20)17-21(25)22-18-8-10-19(11-9-18)24-13-4-3-5-14-24/h2,6-11,15H,1,3-5,12-14,16-17H2,(H,22,25)
InChIKeyOVOCKDJDOODWGD-UHFFFAOYSA-N
MW369.53 g/mol
LogP4.37
Rot. Bonds8

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

N-(4-piperidin-1-ylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 78808517) has the molecular formula C21H27N3OS and a molecular weight of 369.53 g/mol. Its IUPAC name is N-(4-piperidin-1-ylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide
PubChem CID78808517
Molecular FormulaC21H27N3OS
Molecular Weight369.53 g/mol
Exact Mass369.19
IUPAC NameN-(4-piperidin-1-ylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide
SMILESC=CCN(CC(=O)Nc1ccc(N2CCCCC2)cc1)Cc1cccs1
InChIInChI=1S/C21H27N3OS/c1-2-12-23(16-20-7-6-15-26-20)17-21(25)22-18-8-10-19(11-9-18)24-13-4-3-5-14-24/h2,6-11,15H,1,3-5,12-14,16-17H2,(H,22,25)
InChIKeyOVOCKDJDOODWGD-UHFFFAOYSA-N
XLogP4.37
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 54.37
H-Bond Donors ≤ 51
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

N-[4-(azepan-1-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9296343
N-[4-(azepan-1-yl)phenyl]-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9296357
2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 111496595
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide
CID 26648872
N-(4-morpholin-4-ylphenyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 40790537
2-[methyl(thiophen-2-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592090
2-(diethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 51178920
2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 78821105
2-[bis(thiophen-2-ylmethyl)amino]-N-(4-nitrophenyl)acetamide
CID 8800986
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 7744758
N-[2-(difluoromethoxy)phenyl]-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide
CID 33073670
ethyl-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
CID 8592055

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(4-piperidin-1-ylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide (CID 78808517) is N-(4-piperidin-1-ylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(4-piperidin-1-ylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(4-piperidin-1-ylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide is C=CCN(CC(=O)Nc1ccc(N2CCCCC2)cc1)Cc1cccs1.
What is the InChIKey of N-(4-piperidin-1-ylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is OVOCKDJDOODWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3OS/c1-2-12-23(16-20-7-6-15-26-20)17-21(25)22-18-8-10-19(11-9-18)24-13-4-3-5-14-24/h2,6-11,15H,1,3-5,12-14,16-17H2,(H,22,25).
What are the key properties of N-(4-piperidin-1-ylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide?
N-(4-piperidin-1-ylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 369.53 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 78808517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).