methyl (3S)-3-[(3S)-3,4-dimethyl-5-oxopiperazine-1-carbonyl]piperidine-1-carboxylate

C14H23N3O4 — CID 100740870

IUPACmethyl (3S)-3-[(3S)-3,4-dimethyl-5-oxopiperazine-1-carbonyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC[C@H](C(=O)N2CC(=O)N(C)[C@@H](C)C2)C1
InChIInChI=1S/C14H23N3O4/c1-10-7-17(9-12(18)15(10)2)13(19)11-5-4-6-16(8-11)14(20)21-3/h10-11H,4-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyYJDGWNDFNUYZPK-QWRGUYRKSA-N
MW297.35 g/mol
LogP0.15
Rot. Bonds1

About methyl (3S)-3-[(3S)-3,4-dimethyl-5-oxopiperazine-1-carbonyl]piperidine-1-carboxylate

methyl (3S)-3-[(3S)-3,4-dimethyl-5-oxopiperazine-1-carbonyl]piperidine-1-carboxylate (PubChem CID 100740870) has the molecular formula C14H23N3O4 and a molecular weight of 297.35 g/mol. Its IUPAC name is methyl (3S)-3-[(3S)-3,4-dimethyl-5-oxopiperazine-1-carbonyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-3-[(3S)-3,4-dimethyl-5-oxopiperazine-1-carbonyl]piperidine-1-carboxylate
PubChem CID100740870
Molecular FormulaC14H23N3O4
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Namemethyl (3S)-3-[(3S)-3,4-dimethyl-5-oxopiperazine-1-carbonyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC[C@H](C(=O)N2CC(=O)N(C)[C@@H](C)C2)C1
InChIInChI=1S/C14H23N3O4/c1-10-7-17(9-12(18)15(10)2)13(19)11-5-4-6-16(8-11)14(20)21-3/h10-11H,4-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyYJDGWNDFNUYZPK-QWRGUYRKSA-N
XLogP0.15
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6R)-1,6-dimethyl-4-[(3S)-1-(pyridine-4-carbonyl)piperidine-3-carbonyl]piperazin-2-one
CID 124917954
methyl 3-acetylpiperidine-1-carboxylate
CID 59841149
methyl 3-[methyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate
CID 86860285
methyl 3-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)piperidine-1-carboxylate
CID 102556462
(2R)-1,2-dimethylpyrrolidine;ethane;methanol;methyl pyrrolidine-1-carboxylate
CID 170572335
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874
methyl 4-(cyclobutanecarbonyl)piperazine-1-carboxylate
CID 110818476
methyl 3-(4-methoxybenzoyl)piperidine-1-carboxylate
CID 110394724
4-[(3,4-dimethyl-5-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024037
1-(1-methyl-2-oxopiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 119136731
N-ethyl-N-phenyl-1-(2-phenylethyl)piperidine-3-carboxamide;1-methoxycarbonylpiperidine-3-carboxylic acid;methyl 3-[ethyl(phenyl)carbamoyl]piperidine-1-carboxylate
CID 160836176
methyl 1-(azepane-1-carbonyl)piperidine-3-carboxylate
CID 113330700

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-[(3S)-3,4-dimethyl-5-oxopiperazine-1-carbonyl]piperidine-1-carboxylate?
The IUPAC name of methyl (3S)-3-[(3S)-3,4-dimethyl-5-oxopiperazine-1-carbonyl]piperidine-1-carboxylate (CID 100740870) is methyl (3S)-3-[(3S)-3,4-dimethyl-5-oxopiperazine-1-carbonyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl (3S)-3-[(3S)-3,4-dimethyl-5-oxopiperazine-1-carbonyl]piperidine-1-carboxylate?
The canonical SMILES for methyl (3S)-3-[(3S)-3,4-dimethyl-5-oxopiperazine-1-carbonyl]piperidine-1-carboxylate is COC(=O)N1CCC[C@H](C(=O)N2CC(=O)N(C)[C@@H](C)C2)C1.
What is the InChIKey of methyl (3S)-3-[(3S)-3,4-dimethyl-5-oxopiperazine-1-carbonyl]piperidine-1-carboxylate?
The InChIKey is YJDGWNDFNUYZPK-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-10-7-17(9-12(18)15(10)2)13(19)11-5-4-6-16(8-11)14(20)21-3/h10-11H,4-9H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of methyl (3S)-3-[(3S)-3,4-dimethyl-5-oxopiperazine-1-carbonyl]piperidine-1-carboxylate?
methyl (3S)-3-[(3S)-3,4-dimethyl-5-oxopiperazine-1-carbonyl]piperidine-1-carboxylate has a molecular weight of 297.35 g/mol, XLogP of 0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-[(3S)-3,4-dimethyl-5-oxopiperazine-1-carbonyl]piperidine-1-carboxylate is sourced from PubChem (CID 100740870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).