N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylthiophene-2-carboxamide

C25H28N2O3S — CID 42858031

IUPACN-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylthiophene-2-carboxamide
SMILESCOc1ccc(OC)c(CN2CCC(N(C(=O)c3cccs3)c3ccccc3)CC2)c1
InChIInChI=1S/C25H28N2O3S/c1-29-22-10-11-23(30-2)19(17-22)18-26-14-12-21(13-15-26)27(20-7-4-3-5-8-20)25(28)24-9-6-16-31-24/h3-11,16-17,21H,12-15,18H2,1-2H3
InChIKeyOVXPGYJZMHTFJV-UHFFFAOYSA-N
MW436.58 g/mol
LogP5.08
Rot. Bonds7

About N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylthiophene-2-carboxamide

N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylthiophene-2-carboxamide (PubChem CID 42858031) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylthiophene-2-carboxamide
PubChem CID42858031
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC NameN-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylthiophene-2-carboxamide
SMILESCOc1ccc(OC)c(CN2CCC(N(C(=O)c3cccs3)c3ccccc3)CC2)c1
InChIInChI=1S/C25H28N2O3S/c1-29-22-10-11-23(30-2)19(17-22)18-26-14-12-21(13-15-26)27(20-7-4-3-5-8-20)25(28)24-9-6-16-31-24/h3-11,16-17,21H,12-15,18H2,1-2H3
InChIKeyOVXPGYJZMHTFJV-UHFFFAOYSA-N
XLogP5.08
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 46161824
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-methoxyphenyl)-4-methylbenzamide
CID 46054532
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylacetamide
CID 91635293
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-4-fluoro-N-phenylbenzamide
CID 46054236
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46047940
N-(3,4-dimethoxyphenyl)-N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46054558
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methylpropanamide
CID 46054319
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-phenylbenzamide
CID 46054270
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)butanamide
CID 46054472
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 30959496
4-methoxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46047925
N-phenyl-N-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 46055000

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylthiophene-2-carboxamide?
The IUPAC name of N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylthiophene-2-carboxamide (CID 42858031) is N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylthiophene-2-carboxamide is COc1ccc(OC)c(CN2CCC(N(C(=O)c3cccs3)c3ccccc3)CC2)c1.
What is the InChIKey of N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylthiophene-2-carboxamide?
The InChIKey is OVXPGYJZMHTFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-29-22-10-11-23(30-2)19(17-22)18-26-14-12-21(13-15-26)27(20-7-4-3-5-8-20)25(28)24-9-6-16-31-24/h3-11,16-17,21H,12-15,18H2,1-2H3.
What are the key properties of N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylthiophene-2-carboxamide?
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylthiophene-2-carboxamide has a molecular weight of 436.58 g/mol, XLogP of 5.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylthiophene-2-carboxamide is sourced from PubChem (CID 42858031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).