(3S)-N-[1-(2-methoxyphenyl)piperidin-4-yl]-3-methylsulfanylbutanamide

C17H26N2O2S — CID 124614264

IUPAC(3S)-N-[1-(2-methoxyphenyl)piperidin-4-yl]-3-methylsulfanylbutanamide
SMILESCOc1ccccc1N1CCC(NC(=O)C[C@H](C)SC)CC1
InChIInChI=1S/C17H26N2O2S/c1-13(22-3)12-17(20)18-14-8-10-19(11-9-14)15-6-4-5-7-16(15)21-2/h4-7,13-14H,8-12H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyJMWXYPVNYQAXCZ-ZDUSSCGKSA-N
MW322.47 g/mol
LogP2.92
Rot. Bonds6

About (3S)-N-[1-(2-methoxyphenyl)piperidin-4-yl]-3-methylsulfanylbutanamide

(3S)-N-[1-(2-methoxyphenyl)piperidin-4-yl]-3-methylsulfanylbutanamide (PubChem CID 124614264) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is (3S)-N-[1-(2-methoxyphenyl)piperidin-4-yl]-3-methylsulfanylbutanamide.

Molecular Properties

Compound Name(3S)-N-[1-(2-methoxyphenyl)piperidin-4-yl]-3-methylsulfanylbutanamide
PubChem CID124614264
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name(3S)-N-[1-(2-methoxyphenyl)piperidin-4-yl]-3-methylsulfanylbutanamide
SMILESCOc1ccccc1N1CCC(NC(=O)C[C@H](C)SC)CC1
InChIInChI=1S/C17H26N2O2S/c1-13(22-3)12-17(20)18-14-8-10-19(11-9-14)15-6-4-5-7-16(15)21-2/h4-7,13-14H,8-12H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyJMWXYPVNYQAXCZ-ZDUSSCGKSA-N
XLogP2.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-N-[1-(2-methoxyphenyl)piperidin-4-yl]acetamide;dihydrochloride
CID 119866151
2-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)piperidin-4-yl]acetamide
CID 49205489
4-amino-3-methoxy-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]butanamide
CID 120597287
(2S)-2-amino-N-[1-(2-methoxyphenyl)piperidin-4-yl]butanamide
CID 119866158
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide
CID 119895369
2-(cyclopropylmethylamino)-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 119895364
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2-methoxyphenyl)piperidin-4-yl]acetamide
CID 49204369
2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethylcarbamic acid
CID 22615426
N-[1-(2-methoxyphenyl)piperidin-4-yl]-1-methyl-2-oxopyridine-3-carboxamide
CID 136523951
3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methylbutanamide;dihydrochloride
CID 120504219
2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethanol
CID 166899340
(2R)-N-(cyclopentylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 9249455

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[1-(2-methoxyphenyl)piperidin-4-yl]-3-methylsulfanylbutanamide?
The IUPAC name of (3S)-N-[1-(2-methoxyphenyl)piperidin-4-yl]-3-methylsulfanylbutanamide (CID 124614264) is (3S)-N-[1-(2-methoxyphenyl)piperidin-4-yl]-3-methylsulfanylbutanamide.
What is the SMILES notation for (3S)-N-[1-(2-methoxyphenyl)piperidin-4-yl]-3-methylsulfanylbutanamide?
The canonical SMILES for (3S)-N-[1-(2-methoxyphenyl)piperidin-4-yl]-3-methylsulfanylbutanamide is COc1ccccc1N1CCC(NC(=O)C[C@H](C)SC)CC1.
What is the InChIKey of (3S)-N-[1-(2-methoxyphenyl)piperidin-4-yl]-3-methylsulfanylbutanamide?
The InChIKey is JMWXYPVNYQAXCZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-13(22-3)12-17(20)18-14-8-10-19(11-9-14)15-6-4-5-7-16(15)21-2/h4-7,13-14H,8-12H2,1-3H3,(H,18,20)/t13-/m0/s1.
What are the key properties of (3S)-N-[1-(2-methoxyphenyl)piperidin-4-yl]-3-methylsulfanylbutanamide?
(3S)-N-[1-(2-methoxyphenyl)piperidin-4-yl]-3-methylsulfanylbutanamide has a molecular weight of 322.47 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[1-(2-methoxyphenyl)piperidin-4-yl]-3-methylsulfanylbutanamide is sourced from PubChem (CID 124614264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).