N-[(4-methoxyphenyl)methyl]-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide

C25H28N2O2S — CID 134799941

IUPACN-[(4-methoxyphenyl)methyl]-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCCN(Cc3cccc(-c4cccs4)c3)C2)cc1
InChIInChI=1S/C25H28N2O2S/c1-29-23-11-9-19(10-12-23)16-26-25(28)22-7-3-13-27(18-22)17-20-5-2-6-21(15-20)24-8-4-14-30-24/h2,4-6,8-12,14-15,22H,3,7,13,16-18H2,1H3,(H,26,28)
InChIKeyGOXJCDZHANRKHL-UHFFFAOYSA-N
MW420.58 g/mol
LogP4.95
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide

N-[(4-methoxyphenyl)methyl]-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 134799941) has the molecular formula C25H28N2O2S and a molecular weight of 420.58 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID134799941
Molecular FormulaC25H28N2O2S
Molecular Weight420.58 g/mol
Exact Mass420.19
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCCN(Cc3cccc(-c4cccs4)c3)C2)cc1
InChIInChI=1S/C25H28N2O2S/c1-29-23-11-9-19(10-12-23)16-26-25(28)22-7-3-13-27(18-22)17-20-5-2-6-21(15-20)24-8-4-14-30-24/h2,4-6,8-12,14-15,22H,3,7,13,16-18H2,1H3,(H,26,28)
InChIKeyGOXJCDZHANRKHL-UHFFFAOYSA-N
XLogP4.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 134795997
1-[(3-thiophen-2-ylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 134797395
N-[(4-methoxyphenyl)methyl]-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
CID 20860018
N-[(3-chlorophenyl)methyl]-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide
CID 134796270
methyl 2-[[1-[[3-(3-methylphenyl)phenyl]methyl]piperidine-3-carbonyl]amino]acetate
CID 134803746
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 134801935
4-[[[(3R)-1-benzylpiperidine-3-carbonyl]amino]methyl]benzoic acid
CID 124703905
1-[(3-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43917331
methyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride
CID 14181476
1-[(3,4-dichlorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 43921165
N-(pyridin-4-ylmethyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43934995

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide (CID 134799941) is N-[(4-methoxyphenyl)methyl]-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide is COc1ccc(CNC(=O)C2CCCN(Cc3cccc(-c4cccs4)c3)C2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is GOXJCDZHANRKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2S/c1-29-23-11-9-19(10-12-23)16-26-25(28)22-7-3-13-27(18-22)17-20-5-2-6-21(15-20)24-8-4-14-30-24/h2,4-6,8-12,14-15,22H,3,7,13,16-18H2,1H3,(H,26,28).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
N-[(4-methoxyphenyl)methyl]-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 420.58 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 134799941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).