N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamoyl iodide

C16H27IN2O3 — CID 170758208

IUPACN-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamoyl iodide
SMILESO=C(I)NC(COCC1CCCCC1)C(=O)N1CCCCC1
InChIInChI=1S/C16H27IN2O3/c17-16(21)18-14(15(20)19-9-5-2-6-10-19)12-22-11-13-7-3-1-4-8-13/h13-14H,1-12H2,(H,18,21)
InChIKeyVNCTZFJDIIQCBH-UHFFFAOYSA-N
MW422.31 g/mol
LogP3.11
Rot. Bonds6

About N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamoyl iodide

N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamoyl iodide (PubChem CID 170758208) has the molecular formula C16H27IN2O3 and a molecular weight of 422.31 g/mol. Its IUPAC name is N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamoyl iodide.

Molecular Properties

Compound NameN-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamoyl iodide
PubChem CID170758208
Molecular FormulaC16H27IN2O3
Molecular Weight422.31 g/mol
Exact Mass422.11
IUPAC NameN-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamoyl iodide
SMILESO=C(I)NC(COCC1CCCCC1)C(=O)N1CCCCC1
InChIInChI=1S/C16H27IN2O3/c17-16(21)18-14(15(20)19-9-5-2-6-10-19)12-22-11-13-7-3-1-4-8-13/h13-14H,1-12H2,(H,18,21)
InChIKeyVNCTZFJDIIQCBH-UHFFFAOYSA-N
XLogP3.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamoyl iodide 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

3-(cyclohexylmethoxy)-2-(ethylamino)propanamide
CID 62382846
cyclohexylmethyl pyrrolidine-1-carboxylate
CID 85230627
(2S)-3-cyclohexyl-2-hydroxy-1-piperidin-1-ylpropan-1-one
CID 59948409
1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone
CID 43371059
2-(cyclohexylmethylamino)-1-piperidin-1-ylethanone
CID 43216149
3-[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]-1-piperidin-1-ylpropan-1-one
CID 115585636
ethyl 3-(cyclopentylmethoxy)-2-(ethylamino)propanoate
CID 66324378
2-amino-4-(cyclohexylmethylamino)-1-piperidin-1-ylbutan-1-one;dihydrochloride
CID 69237745
[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl] formate
CID 141112484
1-cyclohexyl-2-(cyclopentylmethoxy)ethanol
CID 104753739
N-[1,3-bis(cyclohexylmethoxy)butan-2-yl]acetamide
CID 164604144
2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 63847543

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamoyl iodide?
The IUPAC name of N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamoyl iodide (CID 170758208) is N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamoyl iodide.
What is the SMILES notation for N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamoyl iodide?
The canonical SMILES for N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamoyl iodide is O=C(I)NC(COCC1CCCCC1)C(=O)N1CCCCC1.
What is the InChIKey of N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamoyl iodide?
The InChIKey is VNCTZFJDIIQCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27IN2O3/c17-16(21)18-14(15(20)19-9-5-2-6-10-19)12-22-11-13-7-3-1-4-8-13/h13-14H,1-12H2,(H,18,21).
What are the key properties of N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamoyl iodide?
N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamoyl iodide has a molecular weight of 422.31 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamoyl iodide is sourced from PubChem (CID 170758208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).