N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]piperidine-2-carboxamide

C18H22N2O2S — CID 119343356

IUPACN-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]piperidine-2-carboxamide
SMILESCOc1ccc(-c2csc(CNC(=O)C3CCCCN3)c2)cc1
InChIInChI=1S/C18H22N2O2S/c1-22-15-7-5-13(6-8-15)14-10-16(23-12-14)11-20-18(21)17-4-2-3-9-19-17/h5-8,10,12,17,19H,2-4,9,11H2,1H3,(H,20,21)
InChIKeyYEULKYQGPKPNGK-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.18
Rot. Bonds5

About N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]piperidine-2-carboxamide

N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]piperidine-2-carboxamide (PubChem CID 119343356) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]piperidine-2-carboxamide
PubChem CID119343356
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]piperidine-2-carboxamide
SMILESCOc1ccc(-c2csc(CNC(=O)C3CCCCN3)c2)cc1
InChIInChI=1S/C18H22N2O2S/c1-22-15-7-5-13(6-8-15)14-10-16(23-12-14)11-20-18(21)17-4-2-3-9-19-17/h5-8,10,12,17,19H,2-4,9,11H2,1H3,(H,20,21)
InChIKeyYEULKYQGPKPNGK-UHFFFAOYSA-N
XLogP3.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxamide
CID 103808409
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119319162
N-[(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119279585
N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 71982590
(1R,2S,4R)-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129378297
N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]piperidine-2-carboxamide
CID 119847892
1-cyclopropyl-1-(2-hydroxyethyl)-3-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]urea
CID 111619363
N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]piperidine-2-carboxamide
CID 119302636
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119319176
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119334414
trans-(1S,2R)-1-[[4-(4-methoxyphenyl)thiophen-2-yl]methylcarbamoyl]-2-methylcyclopropane-1-carboxylic acid
CID 167801951
(2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 50944119

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]piperidine-2-carboxamide?
The IUPAC name of N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]piperidine-2-carboxamide (CID 119343356) is N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]piperidine-2-carboxamide?
The canonical SMILES for N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]piperidine-2-carboxamide is COc1ccc(-c2csc(CNC(=O)C3CCCCN3)c2)cc1.
What is the InChIKey of N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]piperidine-2-carboxamide?
The InChIKey is YEULKYQGPKPNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-22-15-7-5-13(6-8-15)14-10-16(23-12-14)11-20-18(21)17-4-2-3-9-19-17/h5-8,10,12,17,19H,2-4,9,11H2,1H3,(H,20,21).
What are the key properties of N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]piperidine-2-carboxamide?
N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]piperidine-2-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 119343356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).