(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

C20H26N2O2S — CID 120617754

IUPAC(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccccc1CN(Cc1cccs1)C(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C20H26N2O2S/c1-15-12-16(9-10-21-15)20(23)22(14-18-7-5-11-25-18)13-17-6-3-4-8-19(17)24-2/h3-8,11,15-16,21H,9-10,12-14H2,1-2H3/t15-,16-/m0/s1
InChIKeyJLRKYQURPLZRCB-HOTGVXAUSA-N
MW358.51 g/mol
LogP3.67
Rot. Bonds6

About (2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 120617754) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is (2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID120617754
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccccc1CN(Cc1cccs1)C(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C20H26N2O2S/c1-15-12-16(9-10-21-15)20(23)22(14-18-7-5-11-25-18)13-17-6-3-4-8-19(17)24-2/h3-8,11,15-16,21H,9-10,12-14H2,1-2H3/t15-,16-/m0/s1
InChIKeyJLRKYQURPLZRCB-HOTGVXAUSA-N
XLogP3.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119268854
N-[(2-methoxyphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 106739545
(2S,4S)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120621349
N-[(2-methoxyphenyl)methyl]-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 55757691
(2S,4S)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621348
N-[(2-methoxyphenyl)methyl]-1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 24603453
N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 51262138
2-(cyclopropylmethylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119685030
2-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119268849
(2S,4S)-N,2-dimethyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 120636609
3-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)propanamide
CID 119268847
3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 8700024

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 120617754) is (2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is COc1ccccc1CN(Cc1cccs1)C(=O)[C@H]1CCN[C@@H](C)C1.
What is the InChIKey of (2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is JLRKYQURPLZRCB-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-15-12-16(9-10-21-15)20(23)22(14-18-7-5-11-25-18)13-17-6-3-4-8-19(17)24-2/h3-8,11,15-16,21H,9-10,12-14H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of (2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 358.51 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 120617754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).