[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-cyclohexylmethanone

C17H29N3O3 — CID 120790356

IUPAC[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-cyclohexylmethanone
SMILESNC[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)C3CCCCC3)CC2)O1
InChIInChI=1S/C17H29N3O3/c18-12-14-6-7-15(23-14)17(22)20-10-8-19(9-11-20)16(21)13-4-2-1-3-5-13/h13-15H,1-12,18H2/t14-,15+/m1/s1
InChIKeyCETLTKMVOPLIEF-CABCVRRESA-N
MW323.44 g/mol
LogP0.74
Rot. Bonds3

About [4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-cyclohexylmethanone

[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-cyclohexylmethanone (PubChem CID 120790356) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is [4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-cyclohexylmethanone
PubChem CID120790356
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-cyclohexylmethanone
SMILESNC[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)C3CCCCC3)CC2)O1
InChIInChI=1S/C17H29N3O3/c18-12-14-6-7-15(23-14)17(22)20-10-8-19(9-11-20)16(21)13-4-2-1-3-5-13/h13-15H,1-12,18H2/t14-,15+/m1/s1
InChIKeyCETLTKMVOPLIEF-CABCVRRESA-N
XLogP0.74
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-cyclohexylmethanone with MolForge

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Related Compounds

[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 120793203
1-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-2-cyclohexylethanone
CID 120791454
2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 120797366
(3S)-1-[5-(aminomethyl)oxolane-2-carbonyl]piperidine-3-carboxylic acid
CID 81126219
2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 120797158
[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
CID 120783849
1-[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-4-yl]-3-cyclohexylurea;hydrochloride
CID 120789889
2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride
CID 120799929
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 120785954
2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one;dihydrochloride
CID 120801445
(2S,5R)-5-(aminomethyl)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide;dihydrochloride
CID 120800655
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 120795128

Frequently Asked Questions

What is the IUPAC name of [4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-cyclohexylmethanone?
The IUPAC name of [4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-cyclohexylmethanone (CID 120790356) is [4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-cyclohexylmethanone.
What is the SMILES notation for [4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-cyclohexylmethanone?
The canonical SMILES for [4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-cyclohexylmethanone is NC[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)C3CCCCC3)CC2)O1.
What is the InChIKey of [4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-cyclohexylmethanone?
The InChIKey is CETLTKMVOPLIEF-CABCVRRESA-N. The full InChI is InChI=1S/C17H29N3O3/c18-12-14-6-7-15(23-14)17(22)20-10-8-19(9-11-20)16(21)13-4-2-1-3-5-13/h13-15H,1-12,18H2/t14-,15+/m1/s1.
What are the key properties of [4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-cyclohexylmethanone?
[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-cyclohexylmethanone has a molecular weight of 323.44 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-cyclohexylmethanone is sourced from PubChem (CID 120790356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).