N-(2-amino-2-oxoethyl)-4-methylsulfanyl-N-piperidin-4-ylbenzamide

C15H21N3O2S — CID 79213778

IUPACN-(2-amino-2-oxoethyl)-4-methylsulfanyl-N-piperidin-4-ylbenzamide
SMILESCSc1ccc(C(=O)N(CC(N)=O)C2CCNCC2)cc1
InChIInChI=1S/C15H21N3O2S/c1-21-13-4-2-11(3-5-13)15(20)18(10-14(16)19)12-6-8-17-9-7-12/h2-5,12,17H,6-10H2,1H3,(H2,16,19)
InChIKeySJUZVGQBIKAAKA-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.09
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-4-methylsulfanyl-N-piperidin-4-ylbenzamide

N-(2-amino-2-oxoethyl)-4-methylsulfanyl-N-piperidin-4-ylbenzamide (PubChem CID 79213778) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-methylsulfanyl-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-methylsulfanyl-N-piperidin-4-ylbenzamide
PubChem CID79213778
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-(2-amino-2-oxoethyl)-4-methylsulfanyl-N-piperidin-4-ylbenzamide
SMILESCSc1ccc(C(=O)N(CC(N)=O)C2CCNCC2)cc1
InChIInChI=1S/C15H21N3O2S/c1-21-13-4-2-11(3-5-13)15(20)18(10-14(16)19)12-6-8-17-9-7-12/h2-5,12,17H,6-10H2,1H3,(H2,16,19)
InChIKeySJUZVGQBIKAAKA-UHFFFAOYSA-N
XLogP1.09
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-oxoethyl)-N-piperidin-4-ylbenzamide
CID 60802269
2-[cyclopropyl-(4-methylsulfanylbenzoyl)amino]acetic acid
CID 54946184
N-(2-amino-2-oxoethyl)-6-oxo-N-piperidin-4-yl-1H-pyridine-3-carboxamide
CID 60800355
N-(2-amino-2-oxoethyl)-3-fluoro-N-piperidin-4-ylbenzamide
CID 60800351
N-(2-amino-2-oxoethyl)-2,6-difluoro-N-piperidin-4-ylbenzamide
CID 60802278
N-(2-amino-2-oxoethyl)-4-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide
CID 107675675
N-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-4-ylbenzamide
CID 60799815
N-cyclopentyl-N-(2-hydroxyethyl)-4-methylsulfanylbenzamide
CID 54994461
N-(2-amino-2-oxoethyl)-5-chloro-N-piperidin-4-ylfuran-2-carboxamide
CID 54923700
4-(difluoromethylsulfanyl)-N-piperidin-4-yl-N-propylbenzamide
CID 119824836
N-(azetidin-3-yl)-N-methyl-4-methylsulfanylbenzamide
CID 79218052
4-chloro-N-ethyl-N-piperidin-4-ylbenzamide
CID 54923441

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-methylsulfanyl-N-piperidin-4-ylbenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-methylsulfanyl-N-piperidin-4-ylbenzamide (CID 79213778) is N-(2-amino-2-oxoethyl)-4-methylsulfanyl-N-piperidin-4-ylbenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-methylsulfanyl-N-piperidin-4-ylbenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-methylsulfanyl-N-piperidin-4-ylbenzamide is CSc1ccc(C(=O)N(CC(N)=O)C2CCNCC2)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-methylsulfanyl-N-piperidin-4-ylbenzamide?
The InChIKey is SJUZVGQBIKAAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-21-13-4-2-11(3-5-13)15(20)18(10-14(16)19)12-6-8-17-9-7-12/h2-5,12,17H,6-10H2,1H3,(H2,16,19).
What are the key properties of N-(2-amino-2-oxoethyl)-4-methylsulfanyl-N-piperidin-4-ylbenzamide?
N-(2-amino-2-oxoethyl)-4-methylsulfanyl-N-piperidin-4-ylbenzamide has a molecular weight of 307.42 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-methylsulfanyl-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 79213778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).