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

C19H36N4O2 — CID 141468260

IUPAC2-methyl-1-[4-[1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperidin-4-yl]piperazin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCN(C2CCN(C[C@@H]3CNC[C@@H](C)O3)CC2)CC1
InChIInChI=1S/C19H36N4O2/c1-15(2)19(24)23-10-8-22(9-11-23)17-4-6-21(7-5-17)14-18-13-20-12-16(3)25-18/h15-18,20H,4-14H2,1-3H3/t16-,18+/m1/s1
InChIKeyLQVADSIKJXMFCI-AEFFLSMTSA-N
MW352.52 g/mol
LogP0.63
Rot. Bonds4

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

2-methyl-1-[4-[1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperidin-4-yl]piperazin-1-yl]propan-1-one (PubChem CID 141468260) has the molecular formula C19H36N4O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is 2-methyl-1-[4-[1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperidin-4-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperidin-4-yl]piperazin-1-yl]propan-1-one
PubChem CID141468260
Molecular FormulaC19H36N4O2
Molecular Weight352.52 g/mol
Exact Mass352.28
IUPAC Name2-methyl-1-[4-[1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperidin-4-yl]piperazin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCN(C2CCN(C[C@@H]3CNC[C@@H](C)O3)CC2)CC1
InChIInChI=1S/C19H36N4O2/c1-15(2)19(24)23-10-8-22(9-11-23)17-4-6-21(7-5-17)14-18-13-20-12-16(3)25-18/h15-18,20H,4-14H2,1-3H3/t16-,18+/m1/s1
InChIKeyLQVADSIKJXMFCI-AEFFLSMTSA-N
XLogP0.63
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

N-[5-fluoro-4-[4-(morpholine-2-carbonyl)piperazin-1-yl]piperidin-3-yl]acetamide
CID 144642152
4-(3-Methylbutyl)-3-{2-[4-(4-morpholinylmethyl)-1-piperidinyl]-2-oxoethyl}-2-piperazinone
CID 45209618
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
N-methyl-2-[3-(morpholin-4-ylcarbonyl)-1,4'-bipiperidin-1'-yl]acetamide
CID 70787894
(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 23540156
(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
tert-butyl N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-yl-1-oxopropan-2-yl]carbamate
CID 23540253
Tert-butyl 4-[3-(morpholin-4-ylcarbonyl)piperazin-1-yl]piperidine-1-carboxylate
CID 57955742
2-(4-tert-butylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-N-piperidin-4-ylacetamide
CID 68177751
2-(4-ethylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-N-piperidin-4-ylacetamide
CID 68185905

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperidin-4-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperidin-4-yl]piperazin-1-yl]propan-1-one (CID 141468260) is 2-methyl-1-[4-[1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperidin-4-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperidin-4-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperidin-4-yl]piperazin-1-yl]propan-1-one is CC(C)C(=O)N1CCN(C2CCN(C[C@@H]3CNC[C@@H](C)O3)CC2)CC1.
What is the InChIKey of 2-methyl-1-[4-[1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperidin-4-yl]piperazin-1-yl]propan-1-one?
The InChIKey is LQVADSIKJXMFCI-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H36N4O2/c1-15(2)19(24)23-10-8-22(9-11-23)17-4-6-21(7-5-17)14-18-13-20-12-16(3)25-18/h15-18,20H,4-14H2,1-3H3/t16-,18+/m1/s1.
What are the key properties of 2-methyl-1-[4-[1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperidin-4-yl]piperazin-1-yl]propan-1-one?
2-methyl-1-[4-[1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperidin-4-yl]piperazin-1-yl]propan-1-one has a molecular weight of 352.52 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperidin-4-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 141468260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).