N-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]thiophene-2-carboxamide

C20H25N3O2S — CID 47548585

IUPACN-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]thiophene-2-carboxamide
SMILESCN(C)C(=O)c1cccc(CN2CCC(NC(=O)c3cccs3)CC2)c1
InChIInChI=1S/C20H25N3O2S/c1-22(2)20(25)16-6-3-5-15(13-16)14-23-10-8-17(9-11-23)21-19(24)18-7-4-12-26-18/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,21,24)
InChIKeyUYHHEPPJWDMMCP-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.84
Rot. Bonds5

About N-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]thiophene-2-carboxamide

N-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 47548585) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]thiophene-2-carboxamide
PubChem CID47548585
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]thiophene-2-carboxamide
SMILESCN(C)C(=O)c1cccc(CN2CCC(NC(=O)c3cccs3)CC2)c1
InChIInChI=1S/C20H25N3O2S/c1-22(2)20(25)16-6-3-5-15(13-16)14-23-10-8-17(9-11-23)21-19(24)18-7-4-12-26-18/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,21,24)
InChIKeyUYHHEPPJWDMMCP-UHFFFAOYSA-N
XLogP2.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-[[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]methyl]benzamide
CID 55989493
N-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-3-methylfuran-2-carboxamide
CID 51130056
N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55484698
N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 27673293
3-chloro-N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]benzamide
CID 134797827
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 51087555
N-[[1-[(3-acetylphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 45228883
N-[3-[[[(1-benzylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]propyl]thiophene-2-carboxamide
CID 110986618
3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethylbenzamide;hydrochloride
CID 120776525
N-(1-ethylsulfonylpiperidin-4-yl)thiophene-2-carboxamide
CID 47150062
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46481195
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78879741

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]thiophene-2-carboxamide (CID 47548585) is N-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]thiophene-2-carboxamide is CN(C)C(=O)c1cccc(CN2CCC(NC(=O)c3cccs3)CC2)c1.
What is the InChIKey of N-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is UYHHEPPJWDMMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-22(2)20(25)16-6-3-5-15(13-16)14-23-10-8-17(9-11-23)21-19(24)18-7-4-12-26-18/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,21,24).
What are the key properties of N-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]thiophene-2-carboxamide?
N-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 47548585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).