1-(5-nitro-2-pyridinyl)-4-piperidin-1-ylpiperidine-4-carboxamide

C16H23N5O3 — CID 3165093

IUPAC1-(5-nitro-2-pyridinyl)-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(c2ccc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C16H23N5O3/c17-15(22)16(20-8-2-1-3-9-20)6-10-19(11-7-16)14-5-4-13(12-18-14)21(23)24/h4-5,12H,1-3,6-11H2,(H2,17,22)
InChIKeyZUEQKVVVOVKMID-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.30
Rot. Bonds4

About 1-(5-nitro-2-pyridinyl)-4-piperidin-1-ylpiperidine-4-carboxamide

1-(5-nitro-2-pyridinyl)-4-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 3165093) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-(5-nitro-2-pyridinyl)-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-nitro-2-pyridinyl)-4-piperidin-1-ylpiperidine-4-carboxamide
PubChem CID3165093
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name1-(5-nitro-2-pyridinyl)-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(c2ccc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C16H23N5O3/c17-15(22)16(20-8-2-1-3-9-20)6-10-19(11-7-16)14-5-4-13(12-18-14)21(23)24/h4-5,12H,1-3,6-11H2,(H2,17,22)
InChIKeyZUEQKVVVOVKMID-UHFFFAOYSA-N
XLogP1.30
TPSA105.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(3R)-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide
CID 30994170
4,4-dimethyl-1-(5-nitro-2-pyridinyl)azepane
CID 133323311
3-methyl-1-(5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 63147135
2,2-difluoro-7-(5-nitro-2-pyridinyl)-7-azaspiro[3.5]nonane
CID 118275346
3-(5-nitro-2-pyridinyl)-3,9-diazaspiro[5.5]undecane
CID 71302762
4-piperidin-1-yl-1-quinoxalin-2-ylpiperidine-4-carboxamide
CID 146040392
4-(5-nitro-2-pyridinyl)-1,4-diazepane-1-carboxylic acid
CID 68559517
N-methyl-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide
CID 24567424
2-amino-1-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 61259070
1-(5-nitro-2-pyridinyl)piperidine-4-carbaldehyde
CID 62663272
(4-nitrophenyl)-[4-(5-nitro-2-pyridinyl)-1,4-diazepan-1-yl]methanone
CID 28526442
4-(3,5-dimethoxyphenyl)-1-(5-nitro-2-pyridinyl)piperidin-4-ol
CID 133362520

Frequently Asked Questions

What is the IUPAC name of 1-(5-nitro-2-pyridinyl)-4-piperidin-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-nitro-2-pyridinyl)-4-piperidin-1-ylpiperidine-4-carboxamide (CID 3165093) is 1-(5-nitro-2-pyridinyl)-4-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-nitro-2-pyridinyl)-4-piperidin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-nitro-2-pyridinyl)-4-piperidin-1-ylpiperidine-4-carboxamide is NC(=O)C1(N2CCCCC2)CCN(c2ccc([N+](=O)[O-])cn2)CC1.
What is the InChIKey of 1-(5-nitro-2-pyridinyl)-4-piperidin-1-ylpiperidine-4-carboxamide?
The InChIKey is ZUEQKVVVOVKMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c17-15(22)16(20-8-2-1-3-9-20)6-10-19(11-7-16)14-5-4-13(12-18-14)21(23)24/h4-5,12H,1-3,6-11H2,(H2,17,22).
What are the key properties of 1-(5-nitro-2-pyridinyl)-4-piperidin-1-ylpiperidine-4-carboxamide?
1-(5-nitro-2-pyridinyl)-4-piperidin-1-ylpiperidine-4-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-nitro-2-pyridinyl)-4-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 3165093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).