(3S)-3-[(2S)-2-methylthiomorpholine-4-carbonyl]-N-phenylpiperidine-1-carboxamide

C18H25N3O2S — CID 95145547

IUPAC(3S)-3-[(2S)-2-methylthiomorpholine-4-carbonyl]-N-phenylpiperidine-1-carboxamide
SMILESC[C@H]1CN(C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)CCS1
InChIInChI=1S/C18H25N3O2S/c1-14-12-20(10-11-24-14)17(22)15-6-5-9-21(13-15)18(23)19-16-7-3-2-4-8-16/h2-4,7-8,14-15H,5-6,9-13H2,1H3,(H,19,23)/t14-,15-/m0/s1
InChIKeyFUKHUOPOOOWCFB-GJZGRUSLSA-N
MW347.48 g/mol
LogP2.89
Rot. Bonds2

About (3S)-3-[(2S)-2-methylthiomorpholine-4-carbonyl]-N-phenylpiperidine-1-carboxamide

(3S)-3-[(2S)-2-methylthiomorpholine-4-carbonyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 95145547) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is (3S)-3-[(2S)-2-methylthiomorpholine-4-carbonyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[(2S)-2-methylthiomorpholine-4-carbonyl]-N-phenylpiperidine-1-carboxamide
PubChem CID95145547
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name(3S)-3-[(2S)-2-methylthiomorpholine-4-carbonyl]-N-phenylpiperidine-1-carboxamide
SMILESC[C@H]1CN(C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)CCS1
InChIInChI=1S/C18H25N3O2S/c1-14-12-20(10-11-24-14)17(22)15-6-5-9-21(13-15)18(23)19-16-7-3-2-4-8-16/h2-4,7-8,14-15H,5-6,9-13H2,1H3,(H,19,23)/t14-,15-/m0/s1
InChIKeyFUKHUOPOOOWCFB-GJZGRUSLSA-N
XLogP2.89
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide;hydrochloride
CID 119411060
(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 34568694
4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 17474266
(3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 8967746
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 119632537
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
1-[1-[(3-methylphenyl)carbamoyl]piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355069
3-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 55982371
N-(4-methylphenyl)-3-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 47087366
3-[4-(2-methoxybenzoyl)-1,4-diazepane-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 47071368

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2S)-2-methylthiomorpholine-4-carbonyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of (3S)-3-[(2S)-2-methylthiomorpholine-4-carbonyl]-N-phenylpiperidine-1-carboxamide (CID 95145547) is (3S)-3-[(2S)-2-methylthiomorpholine-4-carbonyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[(2S)-2-methylthiomorpholine-4-carbonyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[(2S)-2-methylthiomorpholine-4-carbonyl]-N-phenylpiperidine-1-carboxamide is C[C@H]1CN(C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)CCS1.
What is the InChIKey of (3S)-3-[(2S)-2-methylthiomorpholine-4-carbonyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is FUKHUOPOOOWCFB-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-14-12-20(10-11-24-14)17(22)15-6-5-9-21(13-15)18(23)19-16-7-3-2-4-8-16/h2-4,7-8,14-15H,5-6,9-13H2,1H3,(H,19,23)/t14-,15-/m0/s1.
What are the key properties of (3S)-3-[(2S)-2-methylthiomorpholine-4-carbonyl]-N-phenylpiperidine-1-carboxamide?
(3S)-3-[(2S)-2-methylthiomorpholine-4-carbonyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2S)-2-methylthiomorpholine-4-carbonyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 95145547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).