N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide

C18H21N3O2S — CID 119563326

IUPACN-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide
SMILESCNC1CCN(C(=O)c2cccc(NC(=O)c3cccs3)c2)CC1
InChIInChI=1S/C18H21N3O2S/c1-19-14-7-9-21(10-8-14)18(23)13-4-2-5-15(12-13)20-17(22)16-6-3-11-24-16/h2-6,11-12,14,19H,7-10H2,1H3,(H,20,22)
InChIKeyLAAKNBAQADAHEP-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.82
Rot. Bonds4

About N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide

N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide (PubChem CID 119563326) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide
PubChem CID119563326
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide
SMILESCNC1CCN(C(=O)c2cccc(NC(=O)c3cccs3)c2)CC1
InChIInChI=1S/C18H21N3O2S/c1-19-14-7-9-21(10-8-14)18(23)13-4-2-5-15(12-13)20-17(22)16-6-3-11-24-16/h2-6,11-12,14,19H,7-10H2,1H3,(H,20,22)
InChIKeyLAAKNBAQADAHEP-UHFFFAOYSA-N
XLogP2.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 119647658
N-[3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]phenyl]thiophene-2-carboxamide
CID 8732814
N-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 78804920
N-[3-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 46532752
N-[3-(3-aminopiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 119381021
1-(thiophene-2-carbonyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 31520919
1-(4-fluorobenzoyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 46513393
2-methyl-N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119562707
N-[3-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 30711252
N-[3-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 27231517
N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42955485
N-[3-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 112773074

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide (CID 119563326) is N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide is CNC1CCN(C(=O)c2cccc(NC(=O)c3cccs3)c2)CC1.
What is the InChIKey of N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide?
The InChIKey is LAAKNBAQADAHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-19-14-7-9-21(10-8-14)18(23)13-4-2-5-15(12-13)20-17(22)16-6-3-11-24-16/h2-6,11-12,14,19H,7-10H2,1H3,(H,20,22).
What are the key properties of N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide?
N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 119563326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).