1-[[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]methyl]piperidin-2-one

C18H31N3O2 — CID 120634417

IUPAC1-[[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]methyl]piperidin-2-one
SMILESC[C@H]1C[C@@H](C(=O)N2CCC(CN3CCCCC3=O)CC2)CCN1
InChIInChI=1S/C18H31N3O2/c1-14-12-16(5-8-19-14)18(23)20-10-6-15(7-11-20)13-21-9-3-2-4-17(21)22/h14-16,19H,2-13H2,1H3/t14-,16-/m0/s1
InChIKeyBTJZFODYMGISSC-HOCLYGCPSA-N
MW321.47 g/mol
LogP1.63
Rot. Bonds3

About 1-[[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]methyl]piperidin-2-one

1-[[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]methyl]piperidin-2-one (PubChem CID 120634417) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 1-[[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]methyl]piperidin-2-one
PubChem CID120634417
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name1-[[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]methyl]piperidin-2-one
SMILESC[C@H]1C[C@@H](C(=O)N2CCC(CN3CCCCC3=O)CC2)CCN1
InChIInChI=1S/C18H31N3O2/c1-14-12-16(5-8-19-14)18(23)20-10-6-15(7-11-20)13-21-9-3-2-4-17(21)22/h14-16,19H,2-13H2,1H3/t14-,16-/m0/s1
InChIKeyBTJZFODYMGISSC-HOCLYGCPSA-N
XLogP1.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]methyl]piperidin-2-one with MolForge

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Related Compounds

(4R,6S)-6-methyl-4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one
CID 97347669
1-[[1-(piperidine-3-carbonyl)piperidin-4-yl]methyl]piperidin-2-one
CID 119329547
azepan-1-yl-(2-methylpiperidin-4-yl)methanone
CID 106738508
1-(cyclohexylmethyl)-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one
CID 45242721
1-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride
CID 119794144
[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120619320
1-(2-methylpiperidine-4-carbonyl)-1,4-diazepan-5-one
CID 106740000
1-[(6-methylpiperidin-3-yl)methyl]piperidin-2-one
CID 63008530
(2-methylpiperidin-4-yl)-(3-propylpyrrolidin-1-yl)methanone
CID 106740610
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone
CID 120637071
[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120638515
[(2S,4S)-2-methylpiperidin-4-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 120625537

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]methyl]piperidin-2-one?
The IUPAC name of 1-[[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]methyl]piperidin-2-one (CID 120634417) is 1-[[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]methyl]piperidin-2-one is C[C@H]1C[C@@H](C(=O)N2CCC(CN3CCCCC3=O)CC2)CCN1.
What is the InChIKey of 1-[[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]methyl]piperidin-2-one?
The InChIKey is BTJZFODYMGISSC-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-14-12-16(5-8-19-14)18(23)20-10-6-15(7-11-20)13-21-9-3-2-4-17(21)22/h14-16,19H,2-13H2,1H3/t14-,16-/m0/s1.
What are the key properties of 1-[[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]methyl]piperidin-2-one?
1-[[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]methyl]piperidin-2-one has a molecular weight of 321.47 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]methyl]piperidin-2-one is sourced from PubChem (CID 120634417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).