[(2S,4S)-2-methylpiperidin-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

C17H31N3O2 — CID 120637820

IUPAC[(2S,4S)-2-methylpiperidin-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESC[C@H]1C[C@@H](C(=O)N2CCCCC2CN2CCOCC2)CCN1
InChIInChI=1S/C17H31N3O2/c1-14-12-15(5-6-18-14)17(21)20-7-3-2-4-16(20)13-19-8-10-22-11-9-19/h14-16,18H,2-13H2,1H3/t14-,15-,16?/m0/s1
InChIKeyBCFCPHXUPYLCCG-KSCSMHSMSA-N
MW309.45 g/mol
LogP1.09
Rot. Bonds3

About [(2S,4S)-2-methylpiperidin-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

[(2S,4S)-2-methylpiperidin-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 120637820) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is [(2S,4S)-2-methylpiperidin-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2S,4S)-2-methylpiperidin-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID120637820
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name[(2S,4S)-2-methylpiperidin-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESC[C@H]1C[C@@H](C(=O)N2CCCCC2CN2CCOCC2)CCN1
InChIInChI=1S/C17H31N3O2/c1-14-12-15(5-6-18-14)17(21)20-7-3-2-4-16(20)13-19-8-10-22-11-9-19/h14-16,18H,2-13H2,1H3/t14-,15-,16?/m0/s1
InChIKeyBCFCPHXUPYLCCG-KSCSMHSMSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S,4S)-2-methylpiperidin-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[2-(hydroxymethyl)piperidin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106738823
3-[1-(2-methylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid
CID 106739919
[2-(3-methylbutyl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120639137
[(2S,4S)-2-methylpiperidin-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone
CID 120636089
2-(morpholin-4-ylmethyl)piperidine-1-carbothioic S-acid
CID 91568400
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone
CID 120637071
N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide
CID 110196376
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 120637070
(2-benzylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120619708
[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120638392
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120617962
[2-(3-fluorophenyl)cyclopropyl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 71931782

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-2-methylpiperidin-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [(2S,4S)-2-methylpiperidin-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (CID 120637820) is [(2S,4S)-2-methylpiperidin-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [(2S,4S)-2-methylpiperidin-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [(2S,4S)-2-methylpiperidin-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is C[C@H]1C[C@@H](C(=O)N2CCCCC2CN2CCOCC2)CCN1.
What is the InChIKey of [(2S,4S)-2-methylpiperidin-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is BCFCPHXUPYLCCG-KSCSMHSMSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-14-12-15(5-6-18-14)17(21)20-7-3-2-4-16(20)13-19-8-10-22-11-9-19/h14-16,18H,2-13H2,1H3/t14-,15-,16?/m0/s1.
What are the key properties of [(2S,4S)-2-methylpiperidin-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
[(2S,4S)-2-methylpiperidin-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 309.45 g/mol, XLogP of 1.09, 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]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 120637820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).