1-[4-[4-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperazin-1-yl]piperidin-1-yl]ethanone

C17H32N4O2 — CID 141468089

IUPAC1-[4-[4-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperazin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCN(C[C@@H]3CNC[C@@H](C)O3)CC2)CC1
InChIInChI=1S/C17H32N4O2/c1-14-11-18-12-17(23-14)13-19-7-9-21(10-8-19)16-3-5-20(6-4-16)15(2)22/h14,16-18H,3-13H2,1-2H3/t14-,17+/m1/s1
InChIKeyCSCKRXBBMSMTCE-PBHICJAKSA-N
MW324.47 g/mol
LogP-0.01
Rot. Bonds3

About 1-[4-[4-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperazin-1-yl]piperidin-1-yl]ethanone

1-[4-[4-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperazin-1-yl]piperidin-1-yl]ethanone (PubChem CID 141468089) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-[4-[4-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperazin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperazin-1-yl]piperidin-1-yl]ethanone
PubChem CID141468089
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Name1-[4-[4-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperazin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCN(C[C@@H]3CNC[C@@H](C)O3)CC2)CC1
InChIInChI=1S/C17H32N4O2/c1-14-11-18-12-17(23-14)13-19-7-9-21(10-8-19)16-3-5-20(6-4-16)15(2)22/h14,16-18H,3-13H2,1-2H3/t14-,17+/m1/s1
InChIKeyCSCKRXBBMSMTCE-PBHICJAKSA-N
XLogP-0.01
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[4-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperazin-1-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

N-[5-fluoro-4-[4-(morpholine-2-carbonyl)piperazin-1-yl]piperidin-3-yl]acetamide
CID 144642152
2-(3,5-dimethylmorpholin-4-yl)-N-[3-[4-[3-[[2-(3,5-dimethylmorpholin-4-yl)acetyl]amino]propyl]piperazin-1-yl]propyl]acetamide
CID 267453
4-(2,2-Dimethylpropyl)-3-{2-[4-(4-morpholinyl)-1-piperidinyl]-2-oxoethyl}-2-piperazinone
CID 45249950
1-isobutyryl-N-(2-morpholin-4-ylbutyl)piperidin-4-amine
CID 50975339
4-{2-[2-(2-Morpholin-4-ylethyl)piperidin-1-yl]-2-oxoethyl}piperazin-2-one
CID 56759513
(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride
CID 23540195
(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 23540196
1-(4-(1-Methylpiperidin-4-yl)piperazin-1-yl)-2-(piperidin-2-ylmethoxy)ethanone trihydrochloride
CID 44185218
1-[4-(1-Methylpiperidin-4-yl)piperazin-1-yl]-2-(piperidin-2-ylmethoxy)ethanone
CID 44185219
2-(4-Morpholin-4-ylpiperidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 57442411
1-(4-Butan-2-ylpiperazin-1-yl)-2-(4-morpholin-4-ylpiperidin-1-yl)ethanone
CID 57443142
Tert-butyl 4-[3-(morpholin-4-ylcarbonyl)piperazin-1-yl]piperidine-1-carboxylate
CID 57955742

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperazin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperazin-1-yl]piperidin-1-yl]ethanone (CID 141468089) is 1-[4-[4-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperazin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperazin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperazin-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(N2CCN(C[C@@H]3CNC[C@@H](C)O3)CC2)CC1.
What is the InChIKey of 1-[4-[4-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperazin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is CSCKRXBBMSMTCE-PBHICJAKSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-14-11-18-12-17(23-14)13-19-7-9-21(10-8-19)16-3-5-20(6-4-16)15(2)22/h14,16-18H,3-13H2,1-2H3/t14-,17+/m1/s1.
What are the key properties of 1-[4-[4-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperazin-1-yl]piperidin-1-yl]ethanone?
1-[4-[4-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperazin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 324.47 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperazin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 141468089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).