7-nitro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide

C14H16N4O3 — CID 44556283

IUPAC7-nitro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide
SMILESO=C(N[C@@H]1CCCNC1)c1cc2cccc([N+](=O)[O-])c2[nH]1
InChIInChI=1S/C14H16N4O3/c19-14(16-10-4-2-6-15-8-10)11-7-9-3-1-5-12(18(20)21)13(9)17-11/h1,3,5,7,10,15,17H,2,4,6,8H2,(H,16,19)/t10-/m1/s1
InChIKeyGWCCPHGXKFOSAL-SNVBAGLBSA-N
MW288.31 g/mol
LogP1.56
Rot. Bonds3

About 7-nitro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide

7-nitro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide (PubChem CID 44556283) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 7-nitro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-nitro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide
PubChem CID44556283
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name7-nitro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide
SMILESO=C(N[C@@H]1CCCNC1)c1cc2cccc([N+](=O)[O-])c2[nH]1
InChIInChI=1S/C14H16N4O3/c19-14(16-10-4-2-6-15-8-10)11-7-9-3-1-5-12(18(20)21)13(9)17-11/h1,3,5,7,10,15,17H,2,4,6,8H2,(H,16,19)/t10-/m1/s1
InChIKeyGWCCPHGXKFOSAL-SNVBAGLBSA-N
XLogP1.56
TPSA100.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-7-nitro-1H-indole-2-carboxamide
CID 71938416
5-nitro-N-[(3R)-piperidin-3-yl]-1H-pyrrole-2-carboxamide
CID 113436670
3-methyl-4-nitro-N-[(3S)-piperidin-3-yl]benzamide
CID 103866634
4-methyl-N-piperidin-3-yl-1H-indole-2-carboxamide
CID 68708484
5-chloro-4-nitro-N-piperidin-3-ylthiophene-2-carboxamide
CID 112530952
4-methoxy-3-nitro-N-[(3S)-piperidin-3-yl]benzamide
CID 103866718
7-amino-N-cyclohexyl-1H-indole-2-carboxamide
CID 62057455
7-chloro-N-cyclohexyl-1H-indole-2-carboxamide
CID 108791623
2-(2-nitrophenoxy)-N-piperidin-3-ylacetamide
CID 119426166
2-nitro-N-piperidin-3-yl-4-(trifluoromethyl)benzamide;hydrochloride
CID 119428141
1-oxo-N-pyrrolidin-3-yl-2H-isoquinoline-3-carboxamide
CID 119449475
4,5-dimethoxy-2-nitro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427739

Frequently Asked Questions

What is the IUPAC name of 7-nitro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of 7-nitro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide (CID 44556283) is 7-nitro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 7-nitro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 7-nitro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide is O=C(N[C@@H]1CCCNC1)c1cc2cccc([N+](=O)[O-])c2[nH]1.
What is the InChIKey of 7-nitro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide?
The InChIKey is GWCCPHGXKFOSAL-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16N4O3/c19-14(16-10-4-2-6-15-8-10)11-7-9-3-1-5-12(18(20)21)13(9)17-11/h1,3,5,7,10,15,17H,2,4,6,8H2,(H,16,19)/t10-/m1/s1.
What are the key properties of 7-nitro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide?
7-nitro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 44556283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).