N-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-3-carboxamide

C18H27N3OS — CID 119869819

IUPACN-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(CCN2CCSCC2)cc1)C1CCCNC1
InChIInChI=1S/C18H27N3OS/c22-18(16-2-1-8-19-14-16)20-17-5-3-15(4-6-17)7-9-21-10-12-23-13-11-21/h3-6,16,19H,1-2,7-14H2,(H,20,22)
InChIKeyDAXYUURKQUSQDD-UHFFFAOYSA-N
MW333.50 g/mol
LogP2.22
Rot. Bonds5

About N-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-3-carboxamide

N-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-3-carboxamide (PubChem CID 119869819) has the molecular formula C18H27N3OS and a molecular weight of 333.50 g/mol. Its IUPAC name is N-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-3-carboxamide
PubChem CID119869819
Molecular FormulaC18H27N3OS
Molecular Weight333.50 g/mol
Exact Mass333.19
IUPAC NameN-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(CCN2CCSCC2)cc1)C1CCCNC1
InChIInChI=1S/C18H27N3OS/c22-18(16-2-1-8-19-14-16)20-17-5-3-15(4-6-17)7-9-21-10-12-23-13-11-21/h3-6,16,19H,1-2,7-14H2,(H,20,22)
InChIKeyDAXYUURKQUSQDD-UHFFFAOYSA-N
XLogP2.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 81119070
3-amino-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119869842
N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119885582
N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]piperidine-3-carboxamide;dihydrochloride
CID 154915036
1-[[4-(piperidine-3-carbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119872095
N-[4-[(carbamoylamino)methyl]phenyl]piperidine-3-carboxamide
CID 119308510
1-(cyclohexylmethyl)-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
CID 60606675
N-[4-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 119303511
(3R)-N-[4-(diethylamino)phenyl]piperidine-3-carboxamide
CID 28807399
(3R)-N-[4-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81123557
4-[4-(2-thiomorpholin-4-ylethyl)anilino]cyclohexane-1-carboxylic acid
CID 122029744
(3S)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide
CID 28807397

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of N-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-3-carboxamide (CID 119869819) is N-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for N-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-3-carboxamide is O=C(Nc1ccc(CCN2CCSCC2)cc1)C1CCCNC1.
What is the InChIKey of N-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is DAXYUURKQUSQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3OS/c22-18(16-2-1-8-19-14-16)20-17-5-3-15(4-6-17)7-9-21-10-12-23-13-11-21/h3-6,16,19H,1-2,7-14H2,(H,20,22).
What are the key properties of N-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-3-carboxamide?
N-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 333.50 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 119869819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).