N-[1-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide

C22H26N2O2S — CID 131917297

IUPACN-[1-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(Cc2cc(C#CCO)cs2)CC1
InChIInChI=1S/C22H26N2O2S/c1-2-22(26)24(19-8-4-3-5-9-19)20-10-12-23(13-11-20)16-21-15-18(17-27-21)7-6-14-25/h3-5,8-9,15,17,20,25H,2,10-14,16H2,1H3
InChIKeyHEQHHKKQSZPTAP-UHFFFAOYSA-N
MW382.53 g/mol
LogP3.50
Rot. Bonds5

About N-[1-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide

N-[1-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide (PubChem CID 131917297) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is N-[1-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide
PubChem CID131917297
Molecular FormulaC22H26N2O2S
Molecular Weight382.53 g/mol
Exact Mass382.17
IUPAC NameN-[1-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(Cc2cc(C#CCO)cs2)CC1
InChIInChI=1S/C22H26N2O2S/c1-2-22(26)24(19-8-4-3-5-9-19)20-10-12-23(13-11-20)16-21-15-18(17-27-21)7-6-14-25/h3-5,8-9,15,17,20,25H,2,10-14,16H2,1H3
InChIKeyHEQHHKKQSZPTAP-UHFFFAOYSA-N
XLogP3.50
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[5-[[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 164636856
N-(1-butylpiperidin-4-yl)-N-phenylpropanamide
CID 91753688
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
(3S,4S)-4-benzyl-3-hydroxy-1-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperidine-4-carboxylic acid
CID 135107704
3-[5-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 131907404
3-[5-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 56710301
3-[5-[[3-(2-phenylethyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 85480031
(3S,4R)-1-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-4-(3-methylthiophen-2-yl)piperidin-3-ol
CID 50985347
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide
CID 126650510
N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-phenylpropanamide;N-methyl-3-thiophen-2-ylpropan-1-amine
CID 153332308
3-[5-(spiro[azepane-4,2'-chromene]-1-ylmethyl)thiophen-3-yl]prop-2-yn-1-ol
CID 50962193

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[1-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide (CID 131917297) is N-[1-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[1-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[1-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1CCN(Cc2cc(C#CCO)cs2)CC1.
What is the InChIKey of N-[1-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is HEQHHKKQSZPTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2S/c1-2-22(26)24(19-8-4-3-5-9-19)20-10-12-23(13-11-20)16-21-15-18(17-27-21)7-6-14-25/h3-5,8-9,15,17,20,25H,2,10-14,16H2,1H3.
What are the key properties of N-[1-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide?
N-[1-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 382.53 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 131917297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).