N-[3-(3-aminopiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide

C17H19N3O2S — CID 119381021

IUPACN-[3-(3-aminopiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
SMILESNC1CCCN(C(=O)c2cccc(NC(=O)c3cccs3)c2)C1
InChIInChI=1S/C17H19N3O2S/c18-13-5-2-8-20(11-13)17(22)12-4-1-6-14(10-12)19-16(21)15-7-3-9-23-15/h1,3-4,6-7,9-10,13H,2,5,8,11,18H2,(H,19,21)
InChIKeyBOUOVAVLVGAHTQ-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.56
Rot. Bonds3

About N-[3-(3-aminopiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide

N-[3-(3-aminopiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide (PubChem CID 119381021) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[3-(3-aminopiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-aminopiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
PubChem CID119381021
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[3-(3-aminopiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
SMILESNC1CCCN(C(=O)c2cccc(NC(=O)c3cccs3)c2)C1
InChIInChI=1S/C17H19N3O2S/c18-13-5-2-8-20(11-13)17(22)12-4-1-6-14(10-12)19-16(21)15-7-3-9-23-15/h1,3-4,6-7,9-10,13H,2,5,8,11,18H2,(H,19,21)
InChIKeyBOUOVAVLVGAHTQ-UHFFFAOYSA-N
XLogP2.56
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(methylamino)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 119563326
N-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 78804920
N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42955485
N-[3-(3-aminopiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119381577
N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 119647658
N-[3-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 46532752
(3-aminopiperidin-1-yl)-(3-bromophenyl)methanone;hydrochloride
CID 119377080
N-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide;hydrochloride
CID 119595398
N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide;hydrochloride
CID 119412713
(3-aminopiperidin-1-yl)-(3-sulfanylphenyl)methanone
CID 107023968
[3-(3-ethylpiperidine-1-carbonyl)phenyl]urea
CID 47184335

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminopiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(3-aminopiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide (CID 119381021) is N-[3-(3-aminopiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(3-aminopiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(3-aminopiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide is NC1CCCN(C(=O)c2cccc(NC(=O)c3cccs3)c2)C1.
What is the InChIKey of N-[3-(3-aminopiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The InChIKey is BOUOVAVLVGAHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c18-13-5-2-8-20(11-13)17(22)12-4-1-6-14(10-12)19-16(21)15-7-3-9-23-15/h1,3-4,6-7,9-10,13H,2,5,8,11,18H2,(H,19,21).
What are the key properties of N-[3-(3-aminopiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide?
N-[3-(3-aminopiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminopiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 119381021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).