[1-[1-[(2Z)-2-methoxyiminopropanoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate

C14H25N3O4 — CID 175818033

IUPAC[1-[1-[(2Z)-2-methoxyiminopropanoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate
SMILESCO/N=C(/C)C(=O)N1CCC(CC(C)(C)OC(N)=O)CC1
InChIInChI=1S/C14H25N3O4/c1-10(16-20-4)12(18)17-7-5-11(6-8-17)9-14(2,3)21-13(15)19/h11H,5-9H2,1-4H3,(H2,15,19)/b16-10-
InChIKeyIQCSAUPCKJELRC-YBEGLDIGSA-N
MW299.37 g/mol
LogP1.51
Rot. Bonds5

About [1-[1-[(2Z)-2-methoxyiminopropanoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate

[1-[1-[(2Z)-2-methoxyiminopropanoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate (PubChem CID 175818033) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is [1-[1-[(2Z)-2-methoxyiminopropanoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[1-[(2Z)-2-methoxyiminopropanoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate
PubChem CID175818033
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name[1-[1-[(2Z)-2-methoxyiminopropanoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate
SMILESCO/N=C(/C)C(=O)N1CCC(CC(C)(C)OC(N)=O)CC1
InChIInChI=1S/C14H25N3O4/c1-10(16-20-4)12(18)17-7-5-11(6-8-17)9-14(2,3)21-13(15)19/h11H,5-9H2,1-4H3,(H2,15,19)/b16-10-
InChIKeyIQCSAUPCKJELRC-YBEGLDIGSA-N
XLogP1.51
TPSA94.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-[(3R)-1-acetylpiperidin-3-yl]-2-methylpropan-2-yl] carbamate
CID 175269428
(2-methyl-1-piperidin-4-ylpropan-2-yl) carbamate;hydrochloride
CID 174531197
(1-cyclopropyl-2-methylpropan-2-yl) acetate
CID 174859828
(1-cyclopropyl-2-methylpropan-2-yl) 2,2,2-trifluoroacetate
CID 149076499
[1-(3-ethoxycyclopentyl)-2-methylpropan-2-yl] carbamate
CID 142924239
[1-[1-[(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate
CID 151089338
[1-[(3R)-1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrrolidin-3-yl]-2-methylpropan-2-yl] carbamate
CID 155168145
(2-methyl-1-piperidin-4-ylpropan-2-yl) azetidine-1-carboxylate
CID 175439126
tert-butyl N-[amino-[4-(aminomethyl)piperidin-1-yl]methylidene]carbamate
CID 69306673
tert-butyl 4-[(2E)-2-amino-2-hydroxyiminoethyl]piperidine-1-carboxylate
CID 83488593
N-[[1-(N'-methylcarbamimidoyl)piperidin-4-yl]methyl]acetamide
CID 102736501
4-(methylaminomethyl)piperidine-1-carboxamide
CID 63248763

Frequently Asked Questions

What is the IUPAC name of [1-[1-[(2Z)-2-methoxyiminopropanoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-[1-[(2Z)-2-methoxyiminopropanoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate (CID 175818033) is [1-[1-[(2Z)-2-methoxyiminopropanoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-[1-[(2Z)-2-methoxyiminopropanoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-[1-[(2Z)-2-methoxyiminopropanoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate is CO/N=C(/C)C(=O)N1CCC(CC(C)(C)OC(N)=O)CC1.
What is the InChIKey of [1-[1-[(2Z)-2-methoxyiminopropanoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate?
The InChIKey is IQCSAUPCKJELRC-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-10(16-20-4)12(18)17-7-5-11(6-8-17)9-14(2,3)21-13(15)19/h11H,5-9H2,1-4H3,(H2,15,19)/b16-10-.
What are the key properties of [1-[1-[(2Z)-2-methoxyiminopropanoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate?
[1-[1-[(2Z)-2-methoxyiminopropanoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate has a molecular weight of 299.37 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[(2Z)-2-methoxyiminopropanoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 175818033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).