N-[[1-(4-pyridin-2-ylsulfanylbenzoyl)piperidin-4-yl]methyl]acetamide

C20H23N3O2S — CID 51129741

IUPACN-[[1-(4-pyridin-2-ylsulfanylbenzoyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)c2ccc(Sc3ccccn3)cc2)CC1
InChIInChI=1S/C20H23N3O2S/c1-15(24)22-14-16-9-12-23(13-10-16)20(25)17-5-7-18(8-6-17)26-19-4-2-3-11-21-19/h2-8,11,16H,9-10,12-14H2,1H3,(H,22,24)
InChIKeyUVZMLLNSGRFBQY-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.22
Rot. Bonds5

About N-[[1-(4-pyridin-2-ylsulfanylbenzoyl)piperidin-4-yl]methyl]acetamide

N-[[1-(4-pyridin-2-ylsulfanylbenzoyl)piperidin-4-yl]methyl]acetamide (PubChem CID 51129741) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[[1-(4-pyridin-2-ylsulfanylbenzoyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(4-pyridin-2-ylsulfanylbenzoyl)piperidin-4-yl]methyl]acetamide
PubChem CID51129741
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-[[1-(4-pyridin-2-ylsulfanylbenzoyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)c2ccc(Sc3ccccn3)cc2)CC1
InChIInChI=1S/C20H23N3O2S/c1-15(24)22-14-16-9-12-23(13-10-16)20(25)17-5-7-18(8-6-17)26-19-4-2-3-11-21-19/h2-8,11,16H,9-10,12-14H2,1H3,(H,22,24)
InChIKeyUVZMLLNSGRFBQY-UHFFFAOYSA-N
XLogP3.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-pyridin-2-ylsulfanylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 51129599
N-[[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]methyl]acetamide
CID 103754890
N-[[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 102736180
N-[[1-(3,4-dihydroxybenzoyl)piperidin-4-yl]methyl]acetamide
CID 103956700
(8aR)-2-(4-pyridin-2-ylsulfanylbenzoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 97251863
methyl 4-[4-(pyridin-2-ylmethyl)piperidine-1-carbonyl]benzoate
CID 122137060
N-[[1-[4-[2-(diethylamino)ethoxy]benzoyl]piperidin-4-yl]methyl]acetamide
CID 51123387
N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide
CID 47042290
N-[[1-(4-amino-3-hydroxybenzoyl)piperidin-4-yl]methyl]acetamide
CID 102739429
N-[[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]methyl]acetamide
CID 55843750
(3R,6R)-6-methyl-1-(4-pyridin-2-ylsulfanylbenzoyl)piperidine-3-carboxamide
CID 52531236
N-[[1-[3-(aminomethyl)benzoyl]piperidin-4-yl]methyl]acetamide
CID 102735859

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-pyridin-2-ylsulfanylbenzoyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(4-pyridin-2-ylsulfanylbenzoyl)piperidin-4-yl]methyl]acetamide (CID 51129741) is N-[[1-(4-pyridin-2-ylsulfanylbenzoyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(4-pyridin-2-ylsulfanylbenzoyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(4-pyridin-2-ylsulfanylbenzoyl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(C(=O)c2ccc(Sc3ccccn3)cc2)CC1.
What is the InChIKey of N-[[1-(4-pyridin-2-ylsulfanylbenzoyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is UVZMLLNSGRFBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-15(24)22-14-16-9-12-23(13-10-16)20(25)17-5-7-18(8-6-17)26-19-4-2-3-11-21-19/h2-8,11,16H,9-10,12-14H2,1H3,(H,22,24).
What are the key properties of N-[[1-(4-pyridin-2-ylsulfanylbenzoyl)piperidin-4-yl]methyl]acetamide?
N-[[1-(4-pyridin-2-ylsulfanylbenzoyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 369.49 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-pyridin-2-ylsulfanylbenzoyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 51129741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).