(3R)-N-[(3-methylsulfanylphenyl)methyl]-3-propoxypiperidine-1-carboxamide

C17H26N2O2S — CID 126439091

IUPAC(3R)-N-[(3-methylsulfanylphenyl)methyl]-3-propoxypiperidine-1-carboxamide
SMILESCCCO[C@@H]1CCCN(C(=O)NCc2cccc(SC)c2)C1
InChIInChI=1S/C17H26N2O2S/c1-3-10-21-15-7-5-9-19(13-15)17(20)18-12-14-6-4-8-16(11-14)22-2/h4,6,8,11,15H,3,5,7,9-10,12-13H2,1-2H3,(H,18,20)/t15-/m1/s1
InChIKeyUWRLYZHFWJFSSD-OAHLLOKOSA-N
MW322.47 g/mol
LogP3.51
Rot. Bonds6

About (3R)-N-[(3-methylsulfanylphenyl)methyl]-3-propoxypiperidine-1-carboxamide

(3R)-N-[(3-methylsulfanylphenyl)methyl]-3-propoxypiperidine-1-carboxamide (PubChem CID 126439091) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is (3R)-N-[(3-methylsulfanylphenyl)methyl]-3-propoxypiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(3-methylsulfanylphenyl)methyl]-3-propoxypiperidine-1-carboxamide
PubChem CID126439091
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name(3R)-N-[(3-methylsulfanylphenyl)methyl]-3-propoxypiperidine-1-carboxamide
SMILESCCCO[C@@H]1CCCN(C(=O)NCc2cccc(SC)c2)C1
InChIInChI=1S/C17H26N2O2S/c1-3-10-21-15-7-5-9-19(13-15)17(20)18-12-14-6-4-8-16(11-14)22-2/h4,6,8,11,15H,3,5,7,9-10,12-13H2,1-2H3,(H,18,20)/t15-/m1/s1
InChIKeyUWRLYZHFWJFSSD-OAHLLOKOSA-N
XLogP3.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-propoxypiperidine-1-carboxamide
CID 115595374
2-phenylsulfanyl-1-(3-propoxypiperidin-1-yl)ethanone
CID 91786439
(2S)-2-hydroxy-3-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid
CID 107839175
1-[[(3-propoxypiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115451446
1-[(3-ethylsulfanylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122015109
(3R)-N-(1-methyl-3-phenylpyrazol-5-yl)-3-propoxypiperidine-1-carboxamide
CID 97453314
N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxypiperidine-1-carboxamide
CID 47755944
[4-(chloromethyl)phenyl]-(3-propoxypiperidin-1-yl)methanone
CID 61169758
4-methyl-5-[(3-propoxypiperidine-1-carbonyl)amino]pentanoic acid
CID 82014865
N-[(3-cyclopentyloxyphenyl)methyl]-3-(1-hydroxyethyl)piperidine-1-carboxamide
CID 84591482
(3-methylsulfanylphenyl)methylcarbamic acid
CID 69246192
(3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61168973

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3-methylsulfanylphenyl)methyl]-3-propoxypiperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(3-methylsulfanylphenyl)methyl]-3-propoxypiperidine-1-carboxamide (CID 126439091) is (3R)-N-[(3-methylsulfanylphenyl)methyl]-3-propoxypiperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(3-methylsulfanylphenyl)methyl]-3-propoxypiperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(3-methylsulfanylphenyl)methyl]-3-propoxypiperidine-1-carboxamide is CCCO[C@@H]1CCCN(C(=O)NCc2cccc(SC)c2)C1.
What is the InChIKey of (3R)-N-[(3-methylsulfanylphenyl)methyl]-3-propoxypiperidine-1-carboxamide?
The InChIKey is UWRLYZHFWJFSSD-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-3-10-21-15-7-5-9-19(13-15)17(20)18-12-14-6-4-8-16(11-14)22-2/h4,6,8,11,15H,3,5,7,9-10,12-13H2,1-2H3,(H,18,20)/t15-/m1/s1.
What are the key properties of (3R)-N-[(3-methylsulfanylphenyl)methyl]-3-propoxypiperidine-1-carboxamide?
(3R)-N-[(3-methylsulfanylphenyl)methyl]-3-propoxypiperidine-1-carboxamide has a molecular weight of 322.47 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3-methylsulfanylphenyl)methyl]-3-propoxypiperidine-1-carboxamide is sourced from PubChem (CID 126439091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).