N-(3-methyl-5-nitroimidazol-4-yl)-1-propylpiperidin-4-amine

C12H21N5O2 — CID 18095690

IUPACN-(3-methyl-5-nitroimidazol-4-yl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(Nc2c([N+](=O)[O-])ncn2C)CC1
InChIInChI=1S/C12H21N5O2/c1-3-6-16-7-4-10(5-8-16)14-12-11(17(18)19)13-9-15(12)2/h9-10,14H,3-8H2,1-2H3
InChIKeyNXFHVCLUJILUQC-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.61
Rot. Bonds5

About N-(3-methyl-5-nitroimidazol-4-yl)-1-propylpiperidin-4-amine

N-(3-methyl-5-nitroimidazol-4-yl)-1-propylpiperidin-4-amine (PubChem CID 18095690) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(3-methyl-5-nitroimidazol-4-yl)-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-methyl-5-nitroimidazol-4-yl)-1-propylpiperidin-4-amine
PubChem CID18095690
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC NameN-(3-methyl-5-nitroimidazol-4-yl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(Nc2c([N+](=O)[O-])ncn2C)CC1
InChIInChI=1S/C12H21N5O2/c1-3-6-16-7-4-10(5-8-16)14-12-11(17(18)19)13-9-15(12)2/h9-10,14H,3-8H2,1-2H3
InChIKeyNXFHVCLUJILUQC-UHFFFAOYSA-N
XLogP1.61
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.61
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

N-(3-methyl-5-nitroimidazol-4-yl)-1-propan-2-ylpiperidin-4-amine
CID 18095502
2-methyl-1-[4-[(3-methyl-5-nitroimidazol-4-yl)amino]piperidin-1-yl]propan-1-one
CID 34000782
N-(azetidin-3-yl)-3-methyl-5-nitroimidazol-4-amine
CID 66185866
6-N-methyl-5-nitro-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine
CID 112726555
3-methyl-N-(3-methylsulfanylcyclohexyl)-5-nitroimidazol-4-amine
CID 113237753
5-nitro-N-(1-propylpiperidin-4-yl)pyridin-2-amine
CID 60667091
3-methyl-N-(2-methylcyclopentyl)-5-nitroimidazol-4-amine
CID 63281307
N-[2-(azepan-1-yl)ethyl]-3-methyl-5-nitroimidazol-4-amine
CID 32878153
N-butan-2-yl-3-methyl-5-nitroimidazol-4-amine
CID 43395607
N-(3-hydrazinyl-5-nitrophenyl)-1-propylpiperidin-4-amine
CID 80901769
N-(4,5-dimethyl-2-nitrophenyl)-1-propylpiperidin-4-amine
CID 62098256
N-(2,4-difluoro-5-nitrophenyl)-1-propylpiperidin-4-amine
CID 43725113

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-5-nitroimidazol-4-yl)-1-propylpiperidin-4-amine?
The IUPAC name of N-(3-methyl-5-nitroimidazol-4-yl)-1-propylpiperidin-4-amine (CID 18095690) is N-(3-methyl-5-nitroimidazol-4-yl)-1-propylpiperidin-4-amine.
What is the SMILES notation for N-(3-methyl-5-nitroimidazol-4-yl)-1-propylpiperidin-4-amine?
The canonical SMILES for N-(3-methyl-5-nitroimidazol-4-yl)-1-propylpiperidin-4-amine is CCCN1CCC(Nc2c([N+](=O)[O-])ncn2C)CC1.
What is the InChIKey of N-(3-methyl-5-nitroimidazol-4-yl)-1-propylpiperidin-4-amine?
The InChIKey is NXFHVCLUJILUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-3-6-16-7-4-10(5-8-16)14-12-11(17(18)19)13-9-15(12)2/h9-10,14H,3-8H2,1-2H3.
What are the key properties of N-(3-methyl-5-nitroimidazol-4-yl)-1-propylpiperidin-4-amine?
N-(3-methyl-5-nitroimidazol-4-yl)-1-propylpiperidin-4-amine has a molecular weight of 267.33 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-5-nitroimidazol-4-yl)-1-propylpiperidin-4-amine is sourced from PubChem (CID 18095690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).