cyclohexylmethyl N-[(2R,3R)-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]carbamate

C17H26N4O3 — CID 127266887

IUPACcyclohexylmethyl N-[(2R,3R)-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]carbamate
SMILESCn1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)OCC1CCCCC1
InChIInChI=1S/C17H26N4O3/c1-21-14(9-10-18-21)16-13(7-8-15(22)20-16)19-17(23)24-11-12-5-3-2-4-6-12/h9-10,12-13,16H,2-8,11H2,1H3,(H,19,23)(H,20,22)/t13-,16-/m1/s1
InChIKeyFAFZJVMKBWVGIS-CZUORRHYSA-N
MW334.42 g/mol
LogP2.05
Rot. Bonds4

About cyclohexylmethyl N-[(2R,3R)-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]carbamate

cyclohexylmethyl N-[(2R,3R)-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]carbamate (PubChem CID 127266887) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is cyclohexylmethyl N-[(2R,3R)-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]carbamate.

Molecular Properties

Compound Namecyclohexylmethyl N-[(2R,3R)-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]carbamate
PubChem CID127266887
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Namecyclohexylmethyl N-[(2R,3R)-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]carbamate
SMILESCn1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)OCC1CCCCC1
InChIInChI=1S/C17H26N4O3/c1-21-14(9-10-18-21)16-13(7-8-15(22)20-16)19-17(23)24-11-12-5-3-2-4-6-12/h9-10,12-13,16H,2-8,11H2,1H3,(H,19,23)(H,20,22)/t13-,16-/m1/s1
InChIKeyFAFZJVMKBWVGIS-CZUORRHYSA-N
XLogP2.05
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl N-[(2R,3R)-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]carbamate?
The IUPAC name of cyclohexylmethyl N-[(2R,3R)-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]carbamate (CID 127266887) is cyclohexylmethyl N-[(2R,3R)-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]carbamate.
What is the SMILES notation for cyclohexylmethyl N-[(2R,3R)-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]carbamate?
The canonical SMILES for cyclohexylmethyl N-[(2R,3R)-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]carbamate is Cn1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl N-[(2R,3R)-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]carbamate?
The InChIKey is FAFZJVMKBWVGIS-CZUORRHYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-21-14(9-10-18-21)16-13(7-8-15(22)20-16)19-17(23)24-11-12-5-3-2-4-6-12/h9-10,12-13,16H,2-8,11H2,1H3,(H,19,23)(H,20,22)/t13-,16-/m1/s1.
What are the key properties of cyclohexylmethyl N-[(2R,3R)-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]carbamate?
cyclohexylmethyl N-[(2R,3R)-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]carbamate has a molecular weight of 334.42 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl N-[(2R,3R)-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]carbamate is sourced from PubChem (CID 127266887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).