N-(cyclopropylmethyl)-1-(5-methyl-3-nitro-2-pyridinyl)piperidin-4-amine

C15H22N4O2 — CID 115307507

IUPACN-(cyclopropylmethyl)-1-(5-methyl-3-nitro-2-pyridinyl)piperidin-4-amine
SMILESCc1cnc(N2CCC(NCC3CC3)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H22N4O2/c1-11-8-14(19(20)21)15(17-9-11)18-6-4-13(5-7-18)16-10-12-2-3-12/h8-9,12-13,16H,2-7,10H2,1H3
InChIKeyREJBJPNLXOGFOM-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.27
Rot. Bonds5

About N-(cyclopropylmethyl)-1-(5-methyl-3-nitro-2-pyridinyl)piperidin-4-amine

N-(cyclopropylmethyl)-1-(5-methyl-3-nitro-2-pyridinyl)piperidin-4-amine (PubChem CID 115307507) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(5-methyl-3-nitro-2-pyridinyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(5-methyl-3-nitro-2-pyridinyl)piperidin-4-amine
PubChem CID115307507
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-(cyclopropylmethyl)-1-(5-methyl-3-nitro-2-pyridinyl)piperidin-4-amine
SMILESCc1cnc(N2CCC(NCC3CC3)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H22N4O2/c1-11-8-14(19(20)21)15(17-9-11)18-6-4-13(5-7-18)16-10-12-2-3-12/h8-9,12-13,16H,2-7,10H2,1H3
InChIKeyREJBJPNLXOGFOM-UHFFFAOYSA-N
XLogP2.27
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(5-methyl-3-nitro-2-pyridinyl)piperidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-(5-methyl-3-nitro-2-pyridinyl)piperidin-4-amine (CID 115307507) is N-(cyclopropylmethyl)-1-(5-methyl-3-nitro-2-pyridinyl)piperidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(5-methyl-3-nitro-2-pyridinyl)piperidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(5-methyl-3-nitro-2-pyridinyl)piperidin-4-amine is Cc1cnc(N2CCC(NCC3CC3)CC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(5-methyl-3-nitro-2-pyridinyl)piperidin-4-amine?
The InChIKey is REJBJPNLXOGFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11-8-14(19(20)21)15(17-9-11)18-6-4-13(5-7-18)16-10-12-2-3-12/h8-9,12-13,16H,2-7,10H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1-(5-methyl-3-nitro-2-pyridinyl)piperidin-4-amine?
N-(cyclopropylmethyl)-1-(5-methyl-3-nitro-2-pyridinyl)piperidin-4-amine has a molecular weight of 290.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(5-methyl-3-nitro-2-pyridinyl)piperidin-4-amine is sourced from PubChem (CID 115307507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).