5-chloro-4-nitro-N-piperidin-3-ylthiophene-2-carboxamide

C10H12ClN3O3S — CID 112530952

IUPAC5-chloro-4-nitro-N-piperidin-3-ylthiophene-2-carboxamide
SMILESO=C(NC1CCCNC1)c1cc([N+](=O)[O-])c(Cl)s1
InChIInChI=1S/C10H12ClN3O3S/c11-9-7(14(16)17)4-8(18-9)10(15)13-6-2-1-3-12-5-6/h4,6,12H,1-3,5H2,(H,13,15)
InChIKeyKQMFMLGIOYACBJ-UHFFFAOYSA-N
MW289.74 g/mol
LogP1.79
Rot. Bonds3

About 5-chloro-4-nitro-N-piperidin-3-ylthiophene-2-carboxamide

5-chloro-4-nitro-N-piperidin-3-ylthiophene-2-carboxamide (PubChem CID 112530952) has the molecular formula C10H12ClN3O3S and a molecular weight of 289.74 g/mol. Its IUPAC name is 5-chloro-4-nitro-N-piperidin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-4-nitro-N-piperidin-3-ylthiophene-2-carboxamide
PubChem CID112530952
Molecular FormulaC10H12ClN3O3S
Molecular Weight289.74 g/mol
Exact Mass289.03
IUPAC Name5-chloro-4-nitro-N-piperidin-3-ylthiophene-2-carboxamide
SMILESO=C(NC1CCCNC1)c1cc([N+](=O)[O-])c(Cl)s1
InChIInChI=1S/C10H12ClN3O3S/c11-9-7(14(16)17)4-8(18-9)10(15)13-6-2-1-3-12-5-6/h4,6,12H,1-3,5H2,(H,13,15)
InChIKeyKQMFMLGIOYACBJ-UHFFFAOYSA-N
XLogP1.79
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methyl-4-nitro-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119452265
4,5-dibromo-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866520
4,5-dibromo-N-piperidin-3-ylthiophene-2-carboxamide
CID 80537940
3-methyl-4-nitro-N-[(3S)-piperidin-3-yl]benzamide
CID 103866634
2-nitro-N-piperidin-3-yl-4-(trifluoromethyl)benzamide;hydrochloride
CID 119428141
5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866666
4,5-dimethoxy-2-nitro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427739
N-[(3S)-piperidin-3-yl]thieno[3,2-b]thiophene-5-carboxamide
CID 103866540
4-methoxy-3-nitro-N-[(3S)-piperidin-3-yl]benzamide
CID 103866718
N-piperidin-3-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride
CID 119425525
7-nitro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide
CID 44556283
5-nitro-N-[(3R)-piperidin-3-yl]-1H-pyrrole-2-carboxamide
CID 113436670

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-nitro-N-piperidin-3-ylthiophene-2-carboxamide?
The IUPAC name of 5-chloro-4-nitro-N-piperidin-3-ylthiophene-2-carboxamide (CID 112530952) is 5-chloro-4-nitro-N-piperidin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-4-nitro-N-piperidin-3-ylthiophene-2-carboxamide?
The canonical SMILES for 5-chloro-4-nitro-N-piperidin-3-ylthiophene-2-carboxamide is O=C(NC1CCCNC1)c1cc([N+](=O)[O-])c(Cl)s1.
What is the InChIKey of 5-chloro-4-nitro-N-piperidin-3-ylthiophene-2-carboxamide?
The InChIKey is KQMFMLGIOYACBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3S/c11-9-7(14(16)17)4-8(18-9)10(15)13-6-2-1-3-12-5-6/h4,6,12H,1-3,5H2,(H,13,15).
What are the key properties of 5-chloro-4-nitro-N-piperidin-3-ylthiophene-2-carboxamide?
5-chloro-4-nitro-N-piperidin-3-ylthiophene-2-carboxamide has a molecular weight of 289.74 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-nitro-N-piperidin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 112530952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).