bis[4-(2-nitroethyl)piperidin-1-yl]methanone

C15H26N4O5 — CID 174835884

IUPACbis[4-(2-nitroethyl)piperidin-1-yl]methanone
SMILESO=C(N1CCC(CC[N+](=O)[O-])CC1)N1CCC(CC[N+](=O)[O-])CC1
InChIInChI=1S/C15H26N4O5/c20-15(16-7-1-13(2-8-16)5-11-18(21)22)17-9-3-14(4-10-17)6-12-19(23)24/h13-14H,1-12H2
InChIKeyLZZGNILVUUCHII-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.86
Rot. Bonds6

About bis[4-(2-nitroethyl)piperidin-1-yl]methanone

bis[4-(2-nitroethyl)piperidin-1-yl]methanone (PubChem CID 174835884) has the molecular formula C15H26N4O5 and a molecular weight of 342.40 g/mol. Its IUPAC name is bis[4-(2-nitroethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namebis[4-(2-nitroethyl)piperidin-1-yl]methanone
PubChem CID174835884
Molecular FormulaC15H26N4O5
Molecular Weight342.40 g/mol
Exact Mass342.19
IUPAC Namebis[4-(2-nitroethyl)piperidin-1-yl]methanone
SMILESO=C(N1CCC(CC[N+](=O)[O-])CC1)N1CCC(CC[N+](=O)[O-])CC1
InChIInChI=1S/C15H26N4O5/c20-15(16-7-1-13(2-8-16)5-11-18(21)22)17-9-3-14(4-10-17)6-12-19(23)24/h13-14H,1-12H2
InChIKeyLZZGNILVUUCHII-UHFFFAOYSA-N
XLogP1.86
TPSA109.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.86
H-Bond Donors ≤ 50
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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Related Compounds

ethyl 4-(2-nitroethyl)piperidine-1-carboxylate
CID 151186385
bis[4-(4-hydroxybutyl)piperidin-1-yl]methanone
CID 151322497
[1-[4-(sulfinatomethyl)piperidine-1-carbonyl]piperidin-4-yl]methanesulfinate
CID 174890341
1-(4-propylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 55151760
3-nitropropylcyclopropane
CID 147361144
[4-[2-(methylamino)ethyl]piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79161245
azepan-1-yl-(3-propylpyrrolidin-1-yl)methanone
CID 116657830
3-[1-(thiomorpholine-4-carbonyl)piperidin-4-yl]propanoic acid
CID 55049567
3-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)piperidin-4-yl]propanoic acid
CID 115560814
(2S)-1-(4-propylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78992815
azetidin-1-yl-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]methanone
CID 164775434
2-[1-(azocane-1-carbonyl)piperidin-4-yl]acetic acid
CID 79608844

Frequently Asked Questions

What is the IUPAC name of bis[4-(2-nitroethyl)piperidin-1-yl]methanone?
The IUPAC name of bis[4-(2-nitroethyl)piperidin-1-yl]methanone (CID 174835884) is bis[4-(2-nitroethyl)piperidin-1-yl]methanone.
What is the SMILES notation for bis[4-(2-nitroethyl)piperidin-1-yl]methanone?
The canonical SMILES for bis[4-(2-nitroethyl)piperidin-1-yl]methanone is O=C(N1CCC(CC[N+](=O)[O-])CC1)N1CCC(CC[N+](=O)[O-])CC1.
What is the InChIKey of bis[4-(2-nitroethyl)piperidin-1-yl]methanone?
The InChIKey is LZZGNILVUUCHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O5/c20-15(16-7-1-13(2-8-16)5-11-18(21)22)17-9-3-14(4-10-17)6-12-19(23)24/h13-14H,1-12H2.
What are the key properties of bis[4-(2-nitroethyl)piperidin-1-yl]methanone?
bis[4-(2-nitroethyl)piperidin-1-yl]methanone has a molecular weight of 342.40 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(2-nitroethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 174835884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).