[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone

C17H31N3O2 — CID 120637071

IUPAC[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone
SMILESC[C@H]1C[C@@H](C(=O)N2CCN(CC3CCOCC3)CC2)CCN1
InChIInChI=1S/C17H31N3O2/c1-14-12-16(2-5-18-14)17(21)20-8-6-19(7-9-20)13-15-3-10-22-11-4-15/h14-16,18H,2-13H2,1H3/t14-,16-/m0/s1
InChIKeyHDPPUFGPSHPTAS-HOCLYGCPSA-N
MW309.45 g/mol
LogP0.95
Rot. Bonds3

About [(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone

[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone (PubChem CID 120637071) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is [(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone
PubChem CID120637071
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone
SMILESC[C@H]1C[C@@H](C(=O)N2CCN(CC3CCOCC3)CC2)CCN1
InChIInChI=1S/C17H31N3O2/c1-14-12-16(2-5-18-14)17(21)20-8-6-19(7-9-20)13-15-3-10-22-11-4-15/h14-16,18H,2-13H2,1H3/t14-,16-/m0/s1
InChIKeyHDPPUFGPSHPTAS-HOCLYGCPSA-N
XLogP0.95
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone 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

[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 120637070
[(2S,4S)-2-methylpiperidin-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone
CID 120636089
[(2S,4S)-2-methylpiperidin-4-yl]-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
CID 120622918
N,N-diethyl-2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]acetamide
CID 120631697
azepan-1-yl-(2-methylpiperidin-4-yl)methanone
CID 106738508
1-(3,5-dimethylpiperidin-1-yl)-2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 120631687
[(2S,4S)-2-methylpiperidin-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 120637820
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone
CID 120617558
[4-(cyclopropylmethyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 54872509
2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 120631513
[(2S,4S)-2-methylpiperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 120620099
(2-methylpyrrolidin-3-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 79379397

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone (CID 120637071) is [(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone is C[C@H]1C[C@@H](C(=O)N2CCN(CC3CCOCC3)CC2)CCN1.
What is the InChIKey of [(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is HDPPUFGPSHPTAS-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-14-12-16(2-5-18-14)17(21)20-8-6-19(7-9-20)13-15-3-10-22-11-4-15/h14-16,18H,2-13H2,1H3/t14-,16-/m0/s1.
What are the key properties of [(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone?
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 309.45 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 120637071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).