N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]piperidine-3-carboxamide

C18H25N3O2S — CID 119310578

IUPACN-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCSCC2)cc1NC(=O)C1CCCNC1
InChIInChI=1S/C18H25N3O2S/c1-13-4-5-14(18(23)21-7-9-24-10-8-21)11-16(13)20-17(22)15-3-2-6-19-12-15/h4-5,11,15,19H,2-3,6-10,12H2,1H3,(H,20,22)
InChIKeyXHRZGGNPBIVKKH-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.12
Rot. Bonds3

About N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]piperidine-3-carboxamide

N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]piperidine-3-carboxamide (PubChem CID 119310578) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]piperidine-3-carboxamide
PubChem CID119310578
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC NameN-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCSCC2)cc1NC(=O)C1CCCNC1
InChIInChI=1S/C18H25N3O2S/c1-13-4-5-14(18(23)21-7-9-24-10-8-21)11-16(13)20-17(22)15-3-2-6-19-12-15/h4-5,11,15,19H,2-3,6-10,12H2,1H3,(H,20,22)
InChIKeyXHRZGGNPBIVKKH-UHFFFAOYSA-N
XLogP2.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119761439
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]piperidine-3-carboxamide
CID 119286388
(3S)-N-[5-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-methylphenyl]pyrrolidine-3-carboxamide
CID 124889380
N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119759921
N-(2,3,4-trimethylphenyl)piperidine-3-carboxamide
CID 115159866
(3S)-N-(5-cyano-2-methylphenyl)piperidine-3-carboxamide
CID 81139836
2-chloro-N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 146085920
4-[2-methyl-5-(thiomorpholine-4-carbonyl)anilino]cyclohexane-1-carboxylic acid
CID 122029766
[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 119282090
4-hydroxy-3-[[(3R)-piperidine-3-carbonyl]amino]benzoic acid
CID 107265228
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]cyclopentanecarboxamide
CID 25107001
N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119715831

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]piperidine-3-carboxamide (CID 119310578) is N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]piperidine-3-carboxamide is Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)C1CCCNC1.
What is the InChIKey of N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]piperidine-3-carboxamide?
The InChIKey is XHRZGGNPBIVKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-13-4-5-14(18(23)21-7-9-24-10-8-21)11-16(13)20-17(22)15-3-2-6-19-12-15/h4-5,11,15,19H,2-3,6-10,12H2,1H3,(H,20,22).
What are the key properties of N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]piperidine-3-carboxamide?
N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]piperidine-3-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 119310578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).