(3R)-3-hydroxy-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-1-carboxamide

C18H27N3O2S — CID 95286627

IUPAC(3R)-3-hydroxy-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(CCN2CCSCC2)cc1)N1CCC[C@@H](O)C1
InChIInChI=1S/C18H27N3O2S/c22-17-2-1-8-21(14-17)18(23)19-16-5-3-15(4-6-16)7-9-20-10-12-24-13-11-20/h3-6,17,22H,1-2,7-14H2,(H,19,23)/t17-/m1/s1
InChIKeyOMBPYGKPYRYZHQ-QGZVFWFLSA-N
MW349.50 g/mol
LogP2.27
Rot. Bonds4

About (3R)-3-hydroxy-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-1-carboxamide

(3R)-3-hydroxy-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-1-carboxamide (PubChem CID 95286627) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is (3R)-3-hydroxy-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-1-carboxamide
PubChem CID95286627
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name(3R)-3-hydroxy-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(CCN2CCSCC2)cc1)N1CCC[C@@H](O)C1
InChIInChI=1S/C18H27N3O2S/c22-17-2-1-8-21(14-17)18(23)19-16-5-3-15(4-6-16)7-9-20-10-12-24-13-11-20/h3-6,17,22H,1-2,7-14H2,(H,19,23)/t17-/m1/s1
InChIKeyOMBPYGKPYRYZHQ-QGZVFWFLSA-N
XLogP2.27
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclohexylmethyl)-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
CID 60606675
4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
CID 61439140
N-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-3-carboxamide
CID 119869819
3-amino-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119869842
2-[4-[(3-hydroxypyrrolidine-1-carbonyl)amino]phenyl]acetic acid
CID 62941390
N-[4-(1-aminoethyl)phenyl]-3-hydroxypiperidine-1-carboxamide
CID 61438878
(3S)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 94165774
(3R)-N-[4-(cyclopentylcarbamoyl)phenyl]-3-hydroxypiperidine-1-carboxamide
CID 94153607
(3R)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 94165775
4-[4-(2-thiomorpholin-4-ylethyl)anilino]cyclohexane-1-carboxylic acid
CID 122029744
1-[(2R)-4-(4-methylpiperazin-1-yl)butan-2-yl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
CID 99785617
1-[4-(4-methylpiperazin-1-yl)butan-2-yl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
CID 86796852

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-hydroxy-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-1-carboxamide (CID 95286627) is (3R)-3-hydroxy-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-hydroxy-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-hydroxy-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-1-carboxamide is O=C(Nc1ccc(CCN2CCSCC2)cc1)N1CCC[C@@H](O)C1.
What is the InChIKey of (3R)-3-hydroxy-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is OMBPYGKPYRYZHQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H27N3O2S/c22-17-2-1-8-21(14-17)18(23)19-16-5-3-15(4-6-16)7-9-20-10-12-24-13-11-20/h3-6,17,22H,1-2,7-14H2,(H,19,23)/t17-/m1/s1.
What are the key properties of (3R)-3-hydroxy-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-1-carboxamide?
(3R)-3-hydroxy-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 349.50 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 95286627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).