methyl 3-[4-(1-cyano-3-methylcyclobutanecarbonyl)piperazin-1-yl]propanoate

C15H23N3O3 — CID 80501003

IUPACmethyl 3-[4-(1-cyano-3-methylcyclobutanecarbonyl)piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(C(=O)C2(C#N)CC(C)C2)CC1
InChIInChI=1S/C15H23N3O3/c1-12-9-15(10-12,11-16)14(20)18-7-5-17(6-8-18)4-3-13(19)21-2/h12H,3-10H2,1-2H3
InChIKeyMSAVDKGVCBKKSE-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.63
Rot. Bonds4

About methyl 3-[4-(1-cyano-3-methylcyclobutanecarbonyl)piperazin-1-yl]propanoate

methyl 3-[4-(1-cyano-3-methylcyclobutanecarbonyl)piperazin-1-yl]propanoate (PubChem CID 80501003) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is methyl 3-[4-(1-cyano-3-methylcyclobutanecarbonyl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(1-cyano-3-methylcyclobutanecarbonyl)piperazin-1-yl]propanoate
PubChem CID80501003
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Namemethyl 3-[4-(1-cyano-3-methylcyclobutanecarbonyl)piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(C(=O)C2(C#N)CC(C)C2)CC1
InChIInChI=1S/C15H23N3O3/c1-12-9-15(10-12,11-16)14(20)18-7-5-17(6-8-18)4-3-13(19)21-2/h12H,3-10H2,1-2H3
InChIKeyMSAVDKGVCBKKSE-UHFFFAOYSA-N
XLogP0.63
TPSA73.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[4-(1-cyanocyclobutanecarbonyl)piperazin-1-yl]propanoate
CID 78995170
methyl 3-[4-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperazin-1-yl]propanoate
CID 79166118
1-(3,5-dimethylpiperidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile
CID 80501195
methyl 3-(4-cyanopiperidin-1-yl)propanoate
CID 62077331
1-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3-methylcyclobutane-1-carbonitrile
CID 82695487
3-methyl-1-(3-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile
CID 80501516
methyl 3-[4-(1-carbamothioylcyclobutanecarbonyl)piperazin-1-yl]propanoate
CID 115534713
methyl 3-(4-acetyl-1,4-diazepan-1-yl)propanoate
CID 60699890
methyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate
CID 113221897
methyl 4-[4-(2-cyanoethyl)piperazin-1-yl]-4-oxobutanoate
CID 54788082
1-cyano-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide
CID 80502375
propan-2-yl 4-(3-methoxy-3-oxopropyl)piperazine-1-carboxylate
CID 115536096

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(1-cyano-3-methylcyclobutanecarbonyl)piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-(1-cyano-3-methylcyclobutanecarbonyl)piperazin-1-yl]propanoate (CID 80501003) is methyl 3-[4-(1-cyano-3-methylcyclobutanecarbonyl)piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-(1-cyano-3-methylcyclobutanecarbonyl)piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-(1-cyano-3-methylcyclobutanecarbonyl)piperazin-1-yl]propanoate is COC(=O)CCN1CCN(C(=O)C2(C#N)CC(C)C2)CC1.
What is the InChIKey of methyl 3-[4-(1-cyano-3-methylcyclobutanecarbonyl)piperazin-1-yl]propanoate?
The InChIKey is MSAVDKGVCBKKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-12-9-15(10-12,11-16)14(20)18-7-5-17(6-8-18)4-3-13(19)21-2/h12H,3-10H2,1-2H3.
What are the key properties of methyl 3-[4-(1-cyano-3-methylcyclobutanecarbonyl)piperazin-1-yl]propanoate?
methyl 3-[4-(1-cyano-3-methylcyclobutanecarbonyl)piperazin-1-yl]propanoate has a molecular weight of 293.37 g/mol, XLogP of 0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(1-cyano-3-methylcyclobutanecarbonyl)piperazin-1-yl]propanoate is sourced from PubChem (CID 80501003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).