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

C17H25N3O3 — CID 120796726

IUPAC[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)[C@@H]2CC[C@H](CN)O2)CC1
InChIInChI=1S/C17H25N3O3/c1-22-15-5-3-2-4-14(15)19-8-10-20(11-9-19)17(21)16-7-6-13(12-18)23-16/h2-5,13,16H,6-12,18H2,1H3/t13-,16+/m1/s1
InChIKeyHGKMELXQQISNIA-CJNGLKHVSA-N
MW319.40 g/mol
LogP0.85
Rot. Bonds4

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

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 120796726) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID120796726
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)[C@@H]2CC[C@H](CN)O2)CC1
InChIInChI=1S/C17H25N3O3/c1-22-15-5-3-2-4-14(15)19-8-10-20(11-9-19)17(21)16-7-6-13(12-18)23-16/h2-5,13,16H,6-12,18H2,1H3/t13-,16+/m1/s1
InChIKeyHGKMELXQQISNIA-CJNGLKHVSA-N
XLogP0.85
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

[5-(aminomethyl)oxolan-2-yl]-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 169493694
cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 120797171
[4-(2-methoxyphenyl)piperazin-1-yl]-[(2R)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl]methanone
CID 93491061
5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 14053707
(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15549623
azepan-1-yl-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]methanone
CID 109139041
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 109134181
[(1R)-2,2-dichlorocyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 41024311
(3R)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroinden-1-one
CID 51894203
(2S,5R)-5-(aminomethyl)-N-[2-(2-methoxyphenyl)propan-2-yl]oxolane-2-carboxamide
CID 120792004
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108959153

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 120796726) is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)[C@@H]2CC[C@H](CN)O2)CC1.
What is the InChIKey of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is HGKMELXQQISNIA-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-22-15-5-3-2-4-14(15)19-8-10-20(11-9-19)17(21)16-7-6-13(12-18)23-16/h2-5,13,16H,6-12,18H2,1H3/t13-,16+/m1/s1.
What are the key properties of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 319.40 g/mol, XLogP of 0.85, 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-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 120796726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).