2-[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone

C18H32N4O3 — CID 120800116

IUPAC2-[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CC[C@H](CN)O3)CC2)CC1
InChIInChI=1S/C18H32N4O3/c1-20-8-10-21(11-9-20)17(23)12-14-4-6-22(7-5-14)18(24)16-3-2-15(13-19)25-16/h14-16H,2-13,19H2,1H3/t15-,16+/m1/s1
InChIKeyYDEKJPMDRUNWMD-CVEARBPZSA-N
MW352.48 g/mol
LogP-0.10
Rot. Bonds4

About 2-[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone

2-[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 120800116) has the molecular formula C18H32N4O3 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID120800116
Molecular FormulaC18H32N4O3
Molecular Weight352.48 g/mol
Exact Mass352.25
IUPAC Name2-[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CC[C@H](CN)O3)CC2)CC1
InChIInChI=1S/C18H32N4O3/c1-20-8-10-21(11-9-20)17(23)12-14-4-6-22(7-5-14)18(24)16-3-2-15(13-19)25-16/h14-16H,2-13,19H2,1H3/t15-,16+/m1/s1
InChIKeyYDEKJPMDRUNWMD-CVEARBPZSA-N
XLogP-0.10
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

1-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-2-cyclohexylethanone
CID 120791454
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 120792330
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-ethylpyrrolidin-1-yl)methanone
CID 120796524
1-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-2-(diethylamino)ethanone
CID 120799860
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 120795128
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 120795127
2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 120797158
2-[4-(aminomethyl)cyclohexyl]-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 63613057
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 120785954
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
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 120791432

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone (CID 120800116) is 2-[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CC[C@H](CN)O3)CC2)CC1.
What is the InChIKey of 2-[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is YDEKJPMDRUNWMD-CVEARBPZSA-N. The full InChI is InChI=1S/C18H32N4O3/c1-20-8-10-21(11-9-20)17(23)12-14-4-6-22(7-5-14)18(24)16-3-2-15(13-19)25-16/h14-16H,2-13,19H2,1H3/t15-,16+/m1/s1.
What are the key properties of 2-[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone?
2-[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 352.48 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 120800116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).