N-[2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]phenyl]-N-methylthiophene-2-carboxamide

C21H25N3O2S — CID 55567595

IUPACN-[2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]phenyl]-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)c1ccccc1C(=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C21H25N3O2S/c1-23(21(26)19-7-4-14-27-19)18-6-3-2-5-17(18)20(25)22-15-10-12-24(13-11-15)16-8-9-16/h2-7,14-16H,8-13H2,1H3,(H,22,25)
InChIKeyLTLJMTFFCCRITH-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.38
Rot. Bonds5

About N-[2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]phenyl]-N-methylthiophene-2-carboxamide

N-[2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]phenyl]-N-methylthiophene-2-carboxamide (PubChem CID 55567595) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is N-[2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]phenyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]phenyl]-N-methylthiophene-2-carboxamide
PubChem CID55567595
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC NameN-[2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]phenyl]-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)c1ccccc1C(=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C21H25N3O2S/c1-23(21(26)19-7-4-14-27-19)18-6-3-2-5-17(18)20(25)22-15-10-12-24(13-11-15)16-8-9-16/h2-7,14-16H,8-13H2,1H3,(H,22,25)
InChIKeyLTLJMTFFCCRITH-UHFFFAOYSA-N
XLogP3.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylpiperidin-4-yl)-2-methylbenzamide
CID 39974888
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-N-methylthiophene-2-carboxamide
CID 55529394
N-methyl-N-[2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 36543876
N-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-N-methylthiophene-2-carboxamide
CID 120815960
N-[1-[2-(cyclopropylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46156012
N-methyl-N-[2-(3-phenylsulfanylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 38769819
N-[2-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-N-methylthiophene-2-carboxamide
CID 134701671
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)thiophene-2-carboxamide
CID 113223630
N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide
CID 35700243
N-[2-[(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)carbamoyl]phenyl]-N-methylthiophene-2-carboxamide
CID 24684798
N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-N-methylthiophene-2-carboxamide
CID 47031153
N-[1-[2-(propylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46037540

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]phenyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]phenyl]-N-methylthiophene-2-carboxamide (CID 55567595) is N-[2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]phenyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]phenyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]phenyl]-N-methylthiophene-2-carboxamide is CN(C(=O)c1cccs1)c1ccccc1C(=O)NC1CCN(C2CC2)CC1.
What is the InChIKey of N-[2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]phenyl]-N-methylthiophene-2-carboxamide?
The InChIKey is LTLJMTFFCCRITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-23(21(26)19-7-4-14-27-19)18-6-3-2-5-17(18)20(25)22-15-10-12-24(13-11-15)16-8-9-16/h2-7,14-16H,8-13H2,1H3,(H,22,25).
What are the key properties of N-[2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]phenyl]-N-methylthiophene-2-carboxamide?
N-[2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]phenyl]-N-methylthiophene-2-carboxamide has a molecular weight of 383.52 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]phenyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 55567595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).