2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enoxypiperidin-1-yl]ethyl formate

C16H28N2O5 — CID 175253343

IUPAC2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enoxypiperidin-1-yl]ethyl formate
SMILESC=CCOC1CN(CCOC=O)CCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H28N2O5/c1-5-9-22-14-11-18(8-10-21-12-19)7-6-13(14)17-15(20)23-16(2,3)4/h5,12-14H,1,6-11H2,2-4H3,(H,17,20)
InChIKeyXXYPIUXLBDWMOH-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.33
Rot. Bonds8

About 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enoxypiperidin-1-yl]ethyl formate

2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enoxypiperidin-1-yl]ethyl formate (PubChem CID 175253343) has the molecular formula C16H28N2O5 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enoxypiperidin-1-yl]ethyl formate.

Molecular Properties

Compound Name2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enoxypiperidin-1-yl]ethyl formate
PubChem CID175253343
Molecular FormulaC16H28N2O5
Molecular Weight328.41 g/mol
Exact Mass328.20
IUPAC Name2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enoxypiperidin-1-yl]ethyl formate
SMILESC=CCOC1CN(CCOC=O)CCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H28N2O5/c1-5-9-22-14-11-18(8-10-21-12-19)7-6-13(14)17-15(20)23-16(2,3)4/h5,12-14H,1,6-11H2,2-4H3,(H,17,20)
InChIKeyXXYPIUXLBDWMOH-UHFFFAOYSA-N
XLogP1.33
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enoxypiperidin-1-yl]ethyl formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (3R,4S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(prop-2-enoxycarbonylamino)piperidine-1-carboxylate
CID 57804502
Ethyl (3S,4R)-4-[(tert-butoxycarbonyl)amino}-3-(prop-2-en-1-yloxy)piperidine-1-carboxylate
CID 58074870
Ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-propoxypiperidine-1-carboxylate
CID 58074903
Ethyl (3S,4R)-4-amino-3-(prop-2-en-1-yloxy)piperidine-1-carboxylate
CID 58075108
(3S,4R)-4-(ethylamino)-3-prop-2-enoxypiperidine-1-carboxylic acid
CID 66707676
(3S,4R)-2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enoxypiperidine-1-carboxylic acid
CID 66707713
(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enoxypiperidine-1-carboxylic acid
CID 68515536
Ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enoxypiperidine-1-carboxylate
CID 76687453
tert-Butyl 4-(((allyloxy)carbonyl)amino)piperidine-1-carboxylate
CID 108485011
cis(+/-)Ethyl-3-(allyloxy)-4-[(tert-butoxycarbonyl)amino]piperidine-1-carboxylate
CID 131730314
tert-butyl N-(3-prop-2-enoxypiperidin-4-yl)carbamate;ethyl formate
CID 175253344
Tert-butyl 4-[2-(2-methylprop-2-enoxy)ethylamino]piperidine-1-carboxylate
CID 115699372

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enoxypiperidin-1-yl]ethyl formate?
The IUPAC name of 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enoxypiperidin-1-yl]ethyl formate (CID 175253343) is 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enoxypiperidin-1-yl]ethyl formate.
What is the SMILES notation for 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enoxypiperidin-1-yl]ethyl formate?
The canonical SMILES for 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enoxypiperidin-1-yl]ethyl formate is C=CCOC1CN(CCOC=O)CCC1NC(=O)OC(C)(C)C.
What is the InChIKey of 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enoxypiperidin-1-yl]ethyl formate?
The InChIKey is XXYPIUXLBDWMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O5/c1-5-9-22-14-11-18(8-10-21-12-19)7-6-13(14)17-15(20)23-16(2,3)4/h5,12-14H,1,6-11H2,2-4H3,(H,17,20).
What are the key properties of 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enoxypiperidin-1-yl]ethyl formate?
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enoxypiperidin-1-yl]ethyl formate has a molecular weight of 328.41 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enoxypiperidin-1-yl]ethyl formate is sourced from PubChem (CID 175253343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).