[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone

C16H29N3O3 — CID 120800570

IUPAC[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone
SMILESNC[C@H]1CC[C@@H](C(=O)N2CCN(CC3CCOCC3)CC2)O1
InChIInChI=1S/C16H29N3O3/c17-11-14-1-2-15(22-14)16(20)19-7-5-18(6-8-19)12-13-3-9-21-10-4-13/h13-15H,1-12,17H2/t14-,15+/m1/s1
InChIKeyIDBOWEPPFJUROF-CABCVRRESA-N
MW311.43 g/mol
LogP0.06
Rot. Bonds4

About [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone (PubChem CID 120800570) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone
PubChem CID120800570
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone
SMILESNC[C@H]1CC[C@@H](C(=O)N2CCN(CC3CCOCC3)CC2)O1
InChIInChI=1S/C16H29N3O3/c17-11-14-1-2-15(22-14)16(20)19-7-5-18(6-8-19)12-13-3-9-21-10-4-13/h13-15H,1-12,17H2/t14-,15+/m1/s1
InChIKeyIDBOWEPPFJUROF-CABCVRRESA-N
XLogP0.06
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 120797434
2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 120797158
2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-N,N-diethylacetamide
CID 120797382
[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
CID 120783849
2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 120797366
[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-cyclohexylmethanone
CID 120790356
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]-N-ethylacetamide
CID 120797778
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone
CID 120797796
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 120785954
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 120795128
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 120792330

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone (CID 120800570) is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone is NC[C@H]1CC[C@@H](C(=O)N2CCN(CC3CCOCC3)CC2)O1.
What is the InChIKey of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is IDBOWEPPFJUROF-CABCVRRESA-N. The full InChI is InChI=1S/C16H29N3O3/c17-11-14-1-2-15(22-14)16(20)19-7-5-18(6-8-19)12-13-3-9-21-10-4-13/h13-15H,1-12,17H2/t14-,15+/m1/s1.
What are the key properties of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone?
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 311.43 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 120800570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).