2-[1-(4-phenylsulfanylbenzoyl)piperidin-4-yl]acetamide

C20H22N2O2S — CID 166314074

IUPAC2-[1-(4-phenylsulfanylbenzoyl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(C(=O)c2ccc(Sc3ccccc3)cc2)CC1
InChIInChI=1S/C20H22N2O2S/c21-19(23)14-15-10-12-22(13-11-15)20(24)16-6-8-18(9-7-16)25-17-4-2-1-3-5-17/h1-9,15H,10-14H2,(H2,21,23)
InChIKeyGCBUJMSTZUKULT-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.57
Rot. Bonds5

About 2-[1-(4-phenylsulfanylbenzoyl)piperidin-4-yl]acetamide

2-[1-(4-phenylsulfanylbenzoyl)piperidin-4-yl]acetamide (PubChem CID 166314074) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-[1-(4-phenylsulfanylbenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(4-phenylsulfanylbenzoyl)piperidin-4-yl]acetamide
PubChem CID166314074
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name2-[1-(4-phenylsulfanylbenzoyl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(C(=O)c2ccc(Sc3ccccc3)cc2)CC1
InChIInChI=1S/C20H22N2O2S/c21-19(23)14-15-10-12-22(13-11-15)20(24)16-6-8-18(9-7-16)25-17-4-2-1-3-5-17/h1-9,15H,10-14H2,(H2,21,23)
InChIKeyGCBUJMSTZUKULT-UHFFFAOYSA-N
XLogP3.57
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetamide
CID 54989392
2-[1-[4-(phenylsulfanylmethyl)benzoyl]piperidin-4-yl]acetic acid
CID 119178245
2-[1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-4-yl]acetamide
CID 86996686
2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 47290627
(4-benzylpiperidin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 78791820
2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetic acid
CID 79614725
5-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 60978074
2-[1-(4-iodobenzoyl)piperidin-4-yl]acetic acid
CID 78980430
2-[1-(3-hydroxy-4-methoxybenzoyl)piperidin-4-yl]acetamide
CID 79672061
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79615008
2-[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]acetamide
CID 48677877

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-phenylsulfanylbenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(4-phenylsulfanylbenzoyl)piperidin-4-yl]acetamide (CID 166314074) is 2-[1-(4-phenylsulfanylbenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(4-phenylsulfanylbenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(4-phenylsulfanylbenzoyl)piperidin-4-yl]acetamide is NC(=O)CC1CCN(C(=O)c2ccc(Sc3ccccc3)cc2)CC1.
What is the InChIKey of 2-[1-(4-phenylsulfanylbenzoyl)piperidin-4-yl]acetamide?
The InChIKey is GCBUJMSTZUKULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c21-19(23)14-15-10-12-22(13-11-15)20(24)16-6-8-18(9-7-16)25-17-4-2-1-3-5-17/h1-9,15H,10-14H2,(H2,21,23).
What are the key properties of 2-[1-(4-phenylsulfanylbenzoyl)piperidin-4-yl]acetamide?
2-[1-(4-phenylsulfanylbenzoyl)piperidin-4-yl]acetamide has a molecular weight of 354.48 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-phenylsulfanylbenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 166314074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).