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

C20H25N3O2S — CID 119647658

IUPACN-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide
SMILESCCNCC1CCN(C(=O)c2cccc(NC(=O)c3cccs3)c2)CC1
InChIInChI=1S/C20H25N3O2S/c1-2-21-14-15-8-10-23(11-9-15)20(25)16-5-3-6-17(13-16)22-19(24)18-7-4-12-26-18/h3-7,12-13,15,21H,2,8-11,14H2,1H3,(H,22,24)
InChIKeyHLSYMUHNCDKZJY-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.46
Rot. Bonds6

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

N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide (PubChem CID 119647658) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide
PubChem CID119647658
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide
SMILESCCNCC1CCN(C(=O)c2cccc(NC(=O)c3cccs3)c2)CC1
InChIInChI=1S/C20H25N3O2S/c1-2-21-14-15-8-10-23(11-9-15)20(25)16-5-3-6-17(13-16)22-19(24)18-7-4-12-26-18/h3-7,12-13,15,21H,2,8-11,14H2,1H3,(H,22,24)
InChIKeyHLSYMUHNCDKZJY-UHFFFAOYSA-N
XLogP3.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 119563326
N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide
CID 119646571
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-(3-aminopiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 119381021
N-[3-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 46532752
(3-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551547
N-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119647060
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 119647570
1-(thiophene-2-carbonyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 31520919
N-[3-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 30711252
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide (CID 119647658) is N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide is CCNCC1CCN(C(=O)c2cccc(NC(=O)c3cccs3)c2)CC1.
What is the InChIKey of N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide?
The InChIKey is HLSYMUHNCDKZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-2-21-14-15-8-10-23(11-9-15)20(25)16-5-3-6-17(13-16)22-19(24)18-7-4-12-26-18/h3-7,12-13,15,21H,2,8-11,14H2,1H3,(H,22,24).
What are the key properties of N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide?
N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 119647658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).