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

C18H31N3O3 — CID 120791454

IUPAC1-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-2-cyclohexylethanone
SMILESNC[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)CC3CCCCC3)CC2)O1
InChIInChI=1S/C18H31N3O3/c19-13-15-6-7-16(24-15)18(23)21-10-8-20(9-11-21)17(22)12-14-4-2-1-3-5-14/h14-16H,1-13,19H2/t15-,16+/m1/s1
InChIKeyFHWNXWHPXNLKQX-CVEARBPZSA-N
MW337.46 g/mol
LogP1.13
Rot. Bonds4

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

1-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-2-cyclohexylethanone (PubChem CID 120791454) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-2-cyclohexylethanone.

Molecular Properties

Compound Name1-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-2-cyclohexylethanone
PubChem CID120791454
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name1-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-2-cyclohexylethanone
SMILESNC[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)CC3CCCCC3)CC2)O1
InChIInChI=1S/C18H31N3O3/c19-13-15-6-7-16(24-15)18(23)21-10-8-20(9-11-21)17(22)12-14-4-2-1-3-5-14/h14-16H,1-13,19H2/t15-,16+/m1/s1
InChIKeyFHWNXWHPXNLKQX-CVEARBPZSA-N
XLogP1.13
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 120800116
[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-cyclohexylmethanone
CID 120790356
2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 120797366
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-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-2-(diethylamino)ethanone
CID 120799860
2-cyclohexyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 71944684
1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone
CID 119313911
[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 120793203
1-[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-4-yl]-3-cyclohexylurea;hydrochloride
CID 120789889
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-ethylpiperidin-1-yl)methanone
CID 120788294
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-azaspiro[4.5]decan-2-yl)methanone
CID 120795064

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-2-cyclohexylethanone?
The IUPAC name of 1-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-2-cyclohexylethanone (CID 120791454) is 1-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-2-cyclohexylethanone.
What is the SMILES notation for 1-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-2-cyclohexylethanone?
The canonical SMILES for 1-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-2-cyclohexylethanone is NC[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)CC3CCCCC3)CC2)O1.
What is the InChIKey of 1-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-2-cyclohexylethanone?
The InChIKey is FHWNXWHPXNLKQX-CVEARBPZSA-N. The full InChI is InChI=1S/C18H31N3O3/c19-13-15-6-7-16(24-15)18(23)21-10-8-20(9-11-21)17(22)12-14-4-2-1-3-5-14/h14-16H,1-13,19H2/t15-,16+/m1/s1.
What are the key properties of 1-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-2-cyclohexylethanone?
1-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-2-cyclohexylethanone has a molecular weight of 337.46 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-2-cyclohexylethanone is sourced from PubChem (CID 120791454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).