(4R,6S)-6-methyl-4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one

C18H29N3O3 — CID 97347669

IUPAC(4R,6S)-6-methyl-4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one
SMILESC[C@H]1C[C@@H](C(=O)N2CCC(CN3CCCCC3=O)CC2)CC(=O)N1
InChIInChI=1S/C18H29N3O3/c1-13-10-15(11-16(22)19-13)18(24)20-8-5-14(6-9-20)12-21-7-3-2-4-17(21)23/h13-15H,2-12H2,1H3,(H,19,22)/t13-,15+/m0/s1
InChIKeySJUDYZGOAKHIFE-DZGCQCFKSA-N
MW335.45 g/mol
LogP1.15
Rot. Bonds3

About (4R,6S)-6-methyl-4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one

(4R,6S)-6-methyl-4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one (PubChem CID 97347669) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is (4R,6S)-6-methyl-4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name(4R,6S)-6-methyl-4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one
PubChem CID97347669
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name(4R,6S)-6-methyl-4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one
SMILESC[C@H]1C[C@@H](C(=O)N2CCC(CN3CCCCC3=O)CC2)CC(=O)N1
InChIInChI=1S/C18H29N3O3/c1-13-10-15(11-16(22)19-13)18(24)20-8-5-14(6-9-20)12-21-7-3-2-4-17(21)23/h13-15H,2-12H2,1H3,(H,19,22)/t13-,15+/m0/s1
InChIKeySJUDYZGOAKHIFE-DZGCQCFKSA-N
XLogP1.15
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R,6S)-6-methyl-4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one with MolForge

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Related Compounds

1-[[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]methyl]piperidin-2-one
CID 120634417
1-[[1-(piperidine-3-carbonyl)piperidin-4-yl]methyl]piperidin-2-one
CID 119329547
1-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride
CID 119794144
1-(cyclohexylmethyl)-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one
CID 45242721
1-[[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]methyl]piperidin-2-one
CID 119794155
4-(3-hydroxyazetidine-1-carbonyl)-6-methylpiperidin-2-one
CID 154735776
1-[(6-methylpiperidin-3-yl)methyl]piperidin-2-one
CID 63008530
1-[[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]methyl]piperidin-2-one
CID 111538893
5-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126786973
1-[[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]piperidin-2-one
CID 111496581
1-[[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one
CID 56792637
1-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-2-one
CID 119931911

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-6-methyl-4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one?
The IUPAC name of (4R,6S)-6-methyl-4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one (CID 97347669) is (4R,6S)-6-methyl-4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for (4R,6S)-6-methyl-4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for (4R,6S)-6-methyl-4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one is C[C@H]1C[C@@H](C(=O)N2CCC(CN3CCCCC3=O)CC2)CC(=O)N1.
What is the InChIKey of (4R,6S)-6-methyl-4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one?
The InChIKey is SJUDYZGOAKHIFE-DZGCQCFKSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-13-10-15(11-16(22)19-13)18(24)20-8-5-14(6-9-20)12-21-7-3-2-4-17(21)23/h13-15H,2-12H2,1H3,(H,19,22)/t13-,15+/m0/s1.
What are the key properties of (4R,6S)-6-methyl-4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one?
(4R,6S)-6-methyl-4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one has a molecular weight of 335.45 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-6-methyl-4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 97347669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).