N-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]thiophene-3-carboxamide

C18H25N3O2S — CID 119752043

IUPACN-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]thiophene-3-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)N1CCC(NC(=O)c2ccsc2)CC1
InChIInChI=1S/C18H25N3O2S/c19-16-12-2-1-11(9-12)15(16)18(23)21-6-3-14(4-7-21)20-17(22)13-5-8-24-10-13/h5,8,10-12,14-16H,1-4,6-7,9,19H2,(H,20,22)
InChIKeyHSYIRKZSOUZJPH-UHFFFAOYSA-N
MW347.48 g/mol
LogP1.84
Rot. Bonds3

About N-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]thiophene-3-carboxamide

N-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 119752043) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]thiophene-3-carboxamide
PubChem CID119752043
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC NameN-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]thiophene-3-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)N1CCC(NC(=O)c2ccsc2)CC1
InChIInChI=1S/C18H25N3O2S/c19-16-12-2-1-11(9-12)15(16)18(23)21-6-3-14(4-7-21)20-17(22)13-5-8-24-10-13/h5,8,10-12,14-16H,1-4,6-7,9,19H2,(H,20,22)
InChIKeyHSYIRKZSOUZJPH-UHFFFAOYSA-N
XLogP1.84
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide;hydrochloride
CID 120987409
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 119738835
N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 119305242
N-(3-aminocyclobutyl)thiophene-3-carboxamide
CID 43594920
N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 119752077
6-[4-(thiophene-3-carbonylamino)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119182545
N-[1-(4-phenylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578368
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578146
N-(1-pyrazin-2-ylpiperidin-4-yl)thiophene-3-carboxamide
CID 133273014
N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]thiophene-3-carboxamide
CID 77002400
N-[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]thiophene-3-carboxamide
CID 51092675
N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]thiophene-3-carboxamide;hydrochloride
CID 120928066

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]thiophene-3-carboxamide (CID 119752043) is N-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]thiophene-3-carboxamide is NC1C2CCC(C2)C1C(=O)N1CCC(NC(=O)c2ccsc2)CC1.
What is the InChIKey of N-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]thiophene-3-carboxamide?
The InChIKey is HSYIRKZSOUZJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c19-16-12-2-1-11(9-12)15(16)18(23)21-6-3-14(4-7-21)20-17(22)13-5-8-24-10-13/h5,8,10-12,14-16H,1-4,6-7,9,19H2,(H,20,22).
What are the key properties of N-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]thiophene-3-carboxamide?
N-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 119752043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).