(6R)-1,6-dimethyl-4-[(3S)-1-(pyridine-4-carbonyl)piperidine-3-carbonyl]piperazin-2-one

C18H24N4O3 — CID 124917954

IUPAC(6R)-1,6-dimethyl-4-[(3S)-1-(pyridine-4-carbonyl)piperidine-3-carbonyl]piperazin-2-one
SMILESC[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)CC(=O)N1C
InChIInChI=1S/C18H24N4O3/c1-13-10-22(12-16(23)20(13)2)18(25)15-4-3-9-21(11-15)17(24)14-5-7-19-8-6-14/h5-8,13,15H,3-4,9-12H2,1-2H3/t13-,15+/m1/s1
InChIKeyFPYFLUIVOYHQFN-HIFRSBDPSA-N
MW344.42 g/mol
LogP0.62
Rot. Bonds2

About (6R)-1,6-dimethyl-4-[(3S)-1-(pyridine-4-carbonyl)piperidine-3-carbonyl]piperazin-2-one

(6R)-1,6-dimethyl-4-[(3S)-1-(pyridine-4-carbonyl)piperidine-3-carbonyl]piperazin-2-one (PubChem CID 124917954) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (6R)-1,6-dimethyl-4-[(3S)-1-(pyridine-4-carbonyl)piperidine-3-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name(6R)-1,6-dimethyl-4-[(3S)-1-(pyridine-4-carbonyl)piperidine-3-carbonyl]piperazin-2-one
PubChem CID124917954
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(6R)-1,6-dimethyl-4-[(3S)-1-(pyridine-4-carbonyl)piperidine-3-carbonyl]piperazin-2-one
SMILESC[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)CC(=O)N1C
InChIInChI=1S/C18H24N4O3/c1-13-10-22(12-16(23)20(13)2)18(25)15-4-3-9-21(11-15)17(24)14-5-7-19-8-6-14/h5-8,13,15H,3-4,9-12H2,1-2H3/t13-,15+/m1/s1
InChIKeyFPYFLUIVOYHQFN-HIFRSBDPSA-N
XLogP0.62
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6R)-1,6-dimethyl-4-[(3S)-1-(pyridine-4-carbonyl)piperidine-3-carbonyl]piperazin-2-one with MolForge

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Related Compounds

methyl (3S)-3-[(3S)-3,4-dimethyl-5-oxopiperazine-1-carbonyl]piperidine-1-carboxylate
CID 100740870
morpholin-4-yl-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 31006642
[4-(1-aminoethyl)piperidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 119517024
(2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone;dihydrochloride
CID 119470241
N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 110258723
7-[1-(pyridine-4-carbonyl)piperidine-3-carbonyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-1-one
CID 136536033
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 120809609
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
[(2S)-2-propyl-1,3-thiazolidin-3-yl]-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 124607742
(3S)-1-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136477
1-ethyl-4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperazin-2-one
CID 139002759
[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492735

Frequently Asked Questions

What is the IUPAC name of (6R)-1,6-dimethyl-4-[(3S)-1-(pyridine-4-carbonyl)piperidine-3-carbonyl]piperazin-2-one?
The IUPAC name of (6R)-1,6-dimethyl-4-[(3S)-1-(pyridine-4-carbonyl)piperidine-3-carbonyl]piperazin-2-one (CID 124917954) is (6R)-1,6-dimethyl-4-[(3S)-1-(pyridine-4-carbonyl)piperidine-3-carbonyl]piperazin-2-one.
What is the SMILES notation for (6R)-1,6-dimethyl-4-[(3S)-1-(pyridine-4-carbonyl)piperidine-3-carbonyl]piperazin-2-one?
The canonical SMILES for (6R)-1,6-dimethyl-4-[(3S)-1-(pyridine-4-carbonyl)piperidine-3-carbonyl]piperazin-2-one is C[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)CC(=O)N1C.
What is the InChIKey of (6R)-1,6-dimethyl-4-[(3S)-1-(pyridine-4-carbonyl)piperidine-3-carbonyl]piperazin-2-one?
The InChIKey is FPYFLUIVOYHQFN-HIFRSBDPSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13-10-22(12-16(23)20(13)2)18(25)15-4-3-9-21(11-15)17(24)14-5-7-19-8-6-14/h5-8,13,15H,3-4,9-12H2,1-2H3/t13-,15+/m1/s1.
What are the key properties of (6R)-1,6-dimethyl-4-[(3S)-1-(pyridine-4-carbonyl)piperidine-3-carbonyl]piperazin-2-one?
(6R)-1,6-dimethyl-4-[(3S)-1-(pyridine-4-carbonyl)piperidine-3-carbonyl]piperazin-2-one has a molecular weight of 344.42 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1,6-dimethyl-4-[(3S)-1-(pyridine-4-carbonyl)piperidine-3-carbonyl]piperazin-2-one is sourced from PubChem (CID 124917954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).