2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]propanamide

C22H36N4O2 — CID 131924854

IUPAC2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]propanamide
SMILESCc1cccc(CN2CCC(CNC(=O)C(C)N3C[C@@H](C)O[C@@H](C)C3)CC2)n1
InChIInChI=1S/C22H36N4O2/c1-16-6-5-7-21(24-16)15-25-10-8-20(9-11-25)12-23-22(27)19(4)26-13-17(2)28-18(3)14-26/h5-7,17-20H,8-15H2,1-4H3,(H,23,27)/t17-,18+,19?
InChIKeyVAOGJESWFBLFRU-DFNIBXOVSA-N
MW388.56 g/mol
LogP2.22
Rot. Bonds6

About 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]propanamide

2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]propanamide (PubChem CID 131924854) has the molecular formula C22H36N4O2 and a molecular weight of 388.56 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]propanamide
PubChem CID131924854
Molecular FormulaC22H36N4O2
Molecular Weight388.56 g/mol
Exact Mass388.28
IUPAC Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]propanamide
SMILESCc1cccc(CN2CCC(CNC(=O)C(C)N3C[C@@H](C)O[C@@H](C)C3)CC2)n1
InChIInChI=1S/C22H36N4O2/c1-16-6-5-7-21(24-16)15-25-10-8-20(9-11-25)12-23-22(27)19(4)26-13-17(2)28-18(3)14-26/h5-7,17-20H,8-15H2,1-4H3,(H,23,27)/t17-,18+,19?
InChIKeyVAOGJESWFBLFRU-DFNIBXOVSA-N
XLogP2.22
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]propanamide with MolForge

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Related Compounds

N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 79266938
(4R,4aR,8aR)-N-(cyclopropylmethyl)-6-[(6-methyl-2-pyridinyl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 97367019
N-[[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512311
N-(1-benzylpiperidin-4-yl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 47020366
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 27633039
1-[(6-methyl-2-pyridinyl)methyl]piperidine-3,4-dicarboxylic acid
CID 115918772
N-[[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 62512310
(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2R)-2-phenylpropyl]propanamide
CID 99819793
N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 79267719
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-ethoxyphenyl)propanamide
CID 9249079
N-(3-methoxyphenyl)-3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]propanamide
CID 42099100
N,N-diethyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 42432934

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]propanamide?
The IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]propanamide (CID 131924854) is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]propanamide?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]propanamide is Cc1cccc(CN2CCC(CNC(=O)C(C)N3C[C@@H](C)O[C@@H](C)C3)CC2)n1.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]propanamide?
The InChIKey is VAOGJESWFBLFRU-DFNIBXOVSA-N. The full InChI is InChI=1S/C22H36N4O2/c1-16-6-5-7-21(24-16)15-25-10-8-20(9-11-25)12-23-22(27)19(4)26-13-17(2)28-18(3)14-26/h5-7,17-20H,8-15H2,1-4H3,(H,23,27)/t17-,18+,19?.
What are the key properties of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]propanamide?
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]propanamide has a molecular weight of 388.56 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 131924854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).