methoxy-[5-[(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]-oxoazanium

C16H25N4O4+ — CID 156735964

IUPACmethoxy-[5-[(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]-oxoazanium
SMILESCO[N+](=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cn1
InChIInChI=1S/C16H25N4O4/c1-12-11-18(15(21)24-16(2,3)4)8-9-19(12)13-6-7-14(17-10-13)20(22)23-5/h6-7,10,12H,8-9,11H2,1-5H3/q+1/t12-/m0/s1
InChIKeyQEUKEBDQRDCPCO-LBPRGKRZSA-N
MW337.40 g/mol
LogP2.50
Rot. Bonds3

About methoxy-[5-[(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]-oxoazanium

methoxy-[5-[(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]-oxoazanium (PubChem CID 156735964) has the molecular formula C16H25N4O4+ and a molecular weight of 337.40 g/mol. Its IUPAC name is methoxy-[5-[(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]-oxoazanium.

Molecular Properties

Compound Namemethoxy-[5-[(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]-oxoazanium
PubChem CID156735964
Molecular FormulaC16H25N4O4+
Molecular Weight337.40 g/mol
Exact Mass337.19
IUPAC Namemethoxy-[5-[(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]-oxoazanium
SMILESCO[N+](=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cn1
InChIInChI=1S/C16H25N4O4/c1-12-11-18(15(21)24-16(2,3)4)8-9-19(12)13-6-7-14(17-10-13)20(22)23-5/h6-7,10,12H,8-9,11H2,1-5H3/q+1/t12-/m0/s1
InChIKeyQEUKEBDQRDCPCO-LBPRGKRZSA-N
XLogP2.50
TPSA74.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-(6-bromo-3-pyridinyl)-3-methylpiperazine-1-carboxylate
CID 154726838
CID 169205520
CID 169205520
tert-butyl 3-methyl-4-(4-methylphenyl)piperazine-1-carboxylate
CID 59853726
tert-butyl 4-(4-aminophenyl)-3-methylpiperazine-1-carboxylate
CID 22633057
tert-butyl 3-methyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxylate
CID 59793643
tert-butyl (3S)-3-methyl-4-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]piperazine-1-carboxylate
CID 124559663
5-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 131366316
tert-butyl (3S)-3-methyl-4-pyrimidin-2-ylpiperazine-1-carboxylate
CID 95247753
tert-butyl 4-(3,5-dichlorophenyl)-3-methylpiperazine-1-carboxylate
CID 166075296
tert-butyl (3R)-4-(3-chlorophenyl)-3-methylpiperazine-1-carboxylate
CID 150433526
tert-butyl (3S)-4-(3-ethyl-4-nitrophenyl)-3-methylpiperazine-1-carboxylate
CID 170570163
tert-butyl 4-(3-fluorophenyl)-3-methylpiperazine-1-carboxylate
CID 166723804

Frequently Asked Questions

What is the IUPAC name of methoxy-[5-[(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]-oxoazanium?
The IUPAC name of methoxy-[5-[(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]-oxoazanium (CID 156735964) is methoxy-[5-[(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]-oxoazanium.
What is the SMILES notation for methoxy-[5-[(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]-oxoazanium?
The canonical SMILES for methoxy-[5-[(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]-oxoazanium is CO[N+](=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cn1.
What is the InChIKey of methoxy-[5-[(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]-oxoazanium?
The InChIKey is QEUKEBDQRDCPCO-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25N4O4/c1-12-11-18(15(21)24-16(2,3)4)8-9-19(12)13-6-7-14(17-10-13)20(22)23-5/h6-7,10,12H,8-9,11H2,1-5H3/q+1/t12-/m0/s1.
What are the key properties of methoxy-[5-[(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]-oxoazanium?
methoxy-[5-[(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]-oxoazanium has a molecular weight of 337.40 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[5-[(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]-oxoazanium is sourced from PubChem (CID 156735964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).