2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride

C18H34Cl2N4O3 — CID 120799929

IUPAC2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride
SMILESCl.Cl.NC[C@H]1CC[C@@H](C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)O1
InChIInChI=1S/C18H32N4O3.2ClH/c19-12-15-6-7-16(25-15)18(24)22-10-8-21(9-11-22)13-17(23)20-14-4-2-1-3-5-14;;/h14-16H,1-13,19H2,(H,20,23);2*1H/t15-,16+;;/m1../s1
InChIKeyKRQCQKDQTSGYFX-AFMFUHLNSA-N
MW425.40 g/mol
LogP0.93
Rot. Bonds5

About 2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride

2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride (PubChem CID 120799929) has the molecular formula C18H34Cl2N4O3 and a molecular weight of 425.40 g/mol. Its IUPAC name is 2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride
PubChem CID120799929
Molecular FormulaC18H34Cl2N4O3
Molecular Weight425.40 g/mol
Exact Mass424.20
IUPAC Name2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride
SMILESCl.Cl.NC[C@H]1CC[C@@H](C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)O1
InChIInChI=1S/C18H32N4O3.2ClH/c19-12-15-6-7-16(25-15)18(24)22-10-8-21(9-11-22)13-17(23)20-14-4-2-1-3-5-14;;/h14-16H,1-13,19H2,(H,20,23);2*1H/t15-,16+;;/m1../s1
InChIKeyKRQCQKDQTSGYFX-AFMFUHLNSA-N
XLogP0.93
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.40
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

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-ethylacetamide
CID 120797778
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]-cyclohexylmethanone
CID 120790356
N-cyclooctyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 78787879
2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide;dihydrochloride
CID 120797311
2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-N-phenylacetamide
CID 120797578
2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-N,N-diethylacetamide
CID 120797382
2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride
CID 119876862
1-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-2-cyclohexylethanone
CID 120791454
[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
CID 120783849

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride?
The IUPAC name of 2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride (CID 120799929) is 2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride.
What is the SMILES notation for 2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride?
The canonical SMILES for 2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride is Cl.Cl.NC[C@H]1CC[C@@H](C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)O1.
What is the InChIKey of 2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride?
The InChIKey is KRQCQKDQTSGYFX-AFMFUHLNSA-N. The full InChI is InChI=1S/C18H32N4O3.2ClH/c19-12-15-6-7-16(25-15)18(24)22-10-8-21(9-11-22)13-17(23)20-14-4-2-1-3-5-14;;/h14-16H,1-13,19H2,(H,20,23);2*1H/t15-,16+;;/m1../s1.
What are the key properties of 2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride?
2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride has a molecular weight of 425.40 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride is sourced from PubChem (CID 120799929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).