[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidin-1-yl] 2,2-dimethylpropanoate

C15H29N3O4 — CID 174659378

IUPAC[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)OC(=O)NNC1CCN(OC(=O)C(C)(C)C)CC1
InChIInChI=1S/C15H29N3O4/c1-14(2,3)12(19)22-18-9-7-11(8-10-18)16-17-13(20)21-15(4,5)6/h11,16H,7-10H2,1-6H3,(H,17,20)
InChIKeyPZSYLOCXDPPFIH-UHFFFAOYSA-N
MW315.41 g/mol
LogP1.98
Rot. Bonds3

About [4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidin-1-yl] 2,2-dimethylpropanoate

[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174659378) has the molecular formula C15H29N3O4 and a molecular weight of 315.41 g/mol. Its IUPAC name is [4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174659378
Molecular FormulaC15H29N3O4
Molecular Weight315.41 g/mol
Exact Mass315.22
IUPAC Name[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)OC(=O)NNC1CCN(OC(=O)C(C)(C)C)CC1
InChIInChI=1S/C15H29N3O4/c1-14(2,3)12(19)22-18-9-7-11(8-10-18)16-17-13(20)21-15(4,5)6/h11,16H,7-10H2,1-6H3,(H,17,20)
InChIKeyPZSYLOCXDPPFIH-UHFFFAOYSA-N
XLogP1.98
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
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 N-[(1-carbamoylpiperidin-4-yl)amino]carbamate
CID 107237122
tert-butyl N-(cyclododecylamino)carbamate
CID 107236860
tert-butyl N-[(4,4-dimethylcyclohexyl)amino]carbamate
CID 90065651
tert-butyl N-[[(1R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]carbamate
CID 118227156
[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl] propanoate
CID 54317459
tert-butyl N-[[(3R)-piperidin-3-yl]amino]carbamate
CID 71023711
methyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate
CID 174789699
tert-butyl N-[[(1S,5S)-8-azabicyclo[3.2.1]octan-3-yl]amino]carbamate
CID 98052999
(4-carbonochloridoylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 174442879
(4-formylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 174553162
[4-(iodomethyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174751295
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 18784768

Frequently Asked Questions

What is the IUPAC name of [4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidin-1-yl] 2,2-dimethylpropanoate (CID 174659378) is [4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)OC(=O)NNC1CCN(OC(=O)C(C)(C)C)CC1.
What is the InChIKey of [4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is PZSYLOCXDPPFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O4/c1-14(2,3)12(19)22-18-9-7-11(8-10-18)16-17-13(20)21-15(4,5)6/h11,16H,7-10H2,1-6H3,(H,17,20).
What are the key properties of [4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidin-1-yl] 2,2-dimethylpropanoate?
[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 315.41 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174659378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).