N-[6-(4-aminopiperidin-1-yl)-3-nitro-2-pyridinyl]-N-phenylmorpholin-4-amine

C20H26N6O3 — CID 123204141

IUPACN-[6-(4-aminopiperidin-1-yl)-3-nitro-2-pyridinyl]-N-phenylmorpholin-4-amine
SMILESNC1CCN(c2ccc([N+](=O)[O-])c(N(c3ccccc3)N3CCOCC3)n2)CC1
InChIInChI=1S/C20H26N6O3/c21-16-8-10-23(11-9-16)19-7-6-18(26(27)28)20(22-19)25(17-4-2-1-3-5-17)24-12-14-29-15-13-24/h1-7,16H,8-15,21H2
InChIKeyHHQURILJCBCFSH-UHFFFAOYSA-N
MW398.47 g/mol
LogP2.30
Rot. Bonds5

About N-[6-(4-aminopiperidin-1-yl)-3-nitro-2-pyridinyl]-N-phenylmorpholin-4-amine

N-[6-(4-aminopiperidin-1-yl)-3-nitro-2-pyridinyl]-N-phenylmorpholin-4-amine (PubChem CID 123204141) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[6-(4-aminopiperidin-1-yl)-3-nitro-2-pyridinyl]-N-phenylmorpholin-4-amine.

Molecular Properties

Compound NameN-[6-(4-aminopiperidin-1-yl)-3-nitro-2-pyridinyl]-N-phenylmorpholin-4-amine
PubChem CID123204141
Molecular FormulaC20H26N6O3
Molecular Weight398.47 g/mol
Exact Mass398.21
IUPAC NameN-[6-(4-aminopiperidin-1-yl)-3-nitro-2-pyridinyl]-N-phenylmorpholin-4-amine
SMILESNC1CCN(c2ccc([N+](=O)[O-])c(N(c3ccccc3)N3CCOCC3)n2)CC1
InChIInChI=1S/C20H26N6O3/c21-16-8-10-23(11-9-16)19-7-6-18(26(27)28)20(22-19)25(17-4-2-1-3-5-17)24-12-14-29-15-13-24/h1-7,16H,8-15,21H2
InChIKeyHHQURILJCBCFSH-UHFFFAOYSA-N
XLogP2.30
TPSA101.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-aminopiperidin-1-yl)-3-nitro-2-pyridinyl]-N-phenylmorpholin-4-amine?
The IUPAC name of N-[6-(4-aminopiperidin-1-yl)-3-nitro-2-pyridinyl]-N-phenylmorpholin-4-amine (CID 123204141) is N-[6-(4-aminopiperidin-1-yl)-3-nitro-2-pyridinyl]-N-phenylmorpholin-4-amine.
What is the SMILES notation for N-[6-(4-aminopiperidin-1-yl)-3-nitro-2-pyridinyl]-N-phenylmorpholin-4-amine?
The canonical SMILES for N-[6-(4-aminopiperidin-1-yl)-3-nitro-2-pyridinyl]-N-phenylmorpholin-4-amine is NC1CCN(c2ccc([N+](=O)[O-])c(N(c3ccccc3)N3CCOCC3)n2)CC1.
What is the InChIKey of N-[6-(4-aminopiperidin-1-yl)-3-nitro-2-pyridinyl]-N-phenylmorpholin-4-amine?
The InChIKey is HHQURILJCBCFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3/c21-16-8-10-23(11-9-16)19-7-6-18(26(27)28)20(22-19)25(17-4-2-1-3-5-17)24-12-14-29-15-13-24/h1-7,16H,8-15,21H2.
What are the key properties of N-[6-(4-aminopiperidin-1-yl)-3-nitro-2-pyridinyl]-N-phenylmorpholin-4-amine?
N-[6-(4-aminopiperidin-1-yl)-3-nitro-2-pyridinyl]-N-phenylmorpholin-4-amine has a molecular weight of 398.47 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-aminopiperidin-1-yl)-3-nitro-2-pyridinyl]-N-phenylmorpholin-4-amine is sourced from PubChem (CID 123204141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).