[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride

C16H28ClN3O3 — CID 120793203

IUPAC[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
SMILESCl.NC[C@H]1CC[C@@H](C(=O)N2CCCC(C(=O)N3CCCC3)C2)O1
InChIInChI=1S/C16H27N3O3.ClH/c17-10-13-5-6-14(22-13)16(21)19-9-3-4-12(11-19)15(20)18-7-1-2-8-18;/h12-14H,1-11,17H2;1H/t12?,13-,14+;/m1./s1
InChIKeyVFLZUAQISSNCTH-XGNHNWJLSA-N
MW345.87 g/mol
LogP0.78
Rot. Bonds3

About [1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride

[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride (PubChem CID 120793203) has the molecular formula C16H28ClN3O3 and a molecular weight of 345.87 g/mol. Its IUPAC name is [1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
PubChem CID120793203
Molecular FormulaC16H28ClN3O3
Molecular Weight345.87 g/mol
Exact Mass345.18
IUPAC Name[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
SMILESCl.NC[C@H]1CC[C@@H](C(=O)N2CCCC(C(=O)N3CCCC3)C2)O1
InChIInChI=1S/C16H27N3O3.ClH/c17-10-13-5-6-14(22-13)16(21)19-9-3-4-12(11-19)15(20)18-7-1-2-8-18;/h12-14H,1-11,17H2;1H/t12?,13-,14+;/m1./s1
InChIKeyVFLZUAQISSNCTH-XGNHNWJLSA-N
XLogP0.78
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[5-(aminomethyl)oxolane-2-carbonyl]piperidine-3-carboxylic acid
CID 81126219
[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-cyclohexylmethanone
CID 120790356
1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-propylpiperidine-3-carboxamide;hydrochloride
CID 120791067
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-ethylpiperidin-1-yl)methanone
CID 120788294
[5-(aminomethyl)oxolan-2-yl]-(3-methoxypiperidin-1-yl)methanone
CID 102957664
2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 120797366
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methanone
CID 120800238
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 120792916
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]-1-pyrrolidin-1-ylethanone
CID 120797158
[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
CID 120783849
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 120782805

Frequently Asked Questions

What is the IUPAC name of [1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride?
The IUPAC name of [1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride (CID 120793203) is [1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride.
What is the SMILES notation for [1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride?
The canonical SMILES for [1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride is Cl.NC[C@H]1CC[C@@H](C(=O)N2CCCC(C(=O)N3CCCC3)C2)O1.
What is the InChIKey of [1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride?
The InChIKey is VFLZUAQISSNCTH-XGNHNWJLSA-N. The full InChI is InChI=1S/C16H27N3O3.ClH/c17-10-13-5-6-14(22-13)16(21)19-9-3-4-12(11-19)15(20)18-7-1-2-8-18;/h12-14H,1-11,17H2;1H/t12?,13-,14+;/m1./s1.
What are the key properties of [1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride?
[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride has a molecular weight of 345.87 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 120793203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).