N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide

C20H23N3O2S — CID 51125155

IUPACN-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1cccnc1)NCc1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C20H23N3O2S/c24-19(15-26-14-17-6-4-9-21-12-17)22-13-16-5-3-7-18(11-16)23-10-2-1-8-20(23)25/h3-7,9,11-12H,1-2,8,10,13-15H2,(H,22,24)
InChIKeyZDKBTMNMTSXMRL-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.15
Rot. Bonds7

About N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide

N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide (PubChem CID 51125155) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
PubChem CID51125155
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1cccnc1)NCc1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C20H23N3O2S/c24-19(15-26-14-17-6-4-9-21-12-17)22-13-16-5-3-7-18(11-16)23-10-2-1-8-20(23)25/h3-7,9,11-12H,1-2,8,10,13-15H2,(H,22,24)
InChIKeyZDKBTMNMTSXMRL-UHFFFAOYSA-N
XLogP3.15
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methylphenyl)methylsulfanyl]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 39003307
1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 134056865
3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 39004153
2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 27554751
1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one
CID 113352085
1-[3-(methylaminomethyl)phenyl]piperidin-2-one
CID 63272190
2-indazol-1-yl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 56782819
1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-pyridin-3-ylethyl)urea
CID 86988033
4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599
4-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide;hydrochloride
CID 120560369
N-[(2-methoxy-4-pyridinyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 86982561
4-[[[3-(2-oxopyrrolidin-1-yl)phenyl]methylamino]methyl]benzoic acid
CID 122030295

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide (CID 51125155) is N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide is O=C(CSCc1cccnc1)NCc1cccc(N2CCCCC2=O)c1.
What is the InChIKey of N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The InChIKey is ZDKBTMNMTSXMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c24-19(15-26-14-17-6-4-9-21-12-17)22-13-16-5-3-7-18(11-16)23-10-2-1-8-20(23)25/h3-7,9,11-12H,1-2,8,10,13-15H2,(H,22,24).
What are the key properties of N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide has a molecular weight of 369.49 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 51125155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).