methyl 4-[(3-cyanobenzoyl)amino]piperidine-1-carboxylate

C15H17N3O3 — CID 86841427

IUPACmethyl 4-[(3-cyanobenzoyl)amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)c2cccc(C#N)c2)CC1
InChIInChI=1S/C15H17N3O3/c1-21-15(20)18-7-5-13(6-8-18)17-14(19)12-4-2-3-11(9-12)10-16/h2-4,9,13H,5-8H2,1H3,(H,17,19)
InChIKeyVWCQVDVQOBBHJO-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.52
Rot. Bonds2

About methyl 4-[(3-cyanobenzoyl)amino]piperidine-1-carboxylate

methyl 4-[(3-cyanobenzoyl)amino]piperidine-1-carboxylate (PubChem CID 86841427) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 4-[(3-cyanobenzoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3-cyanobenzoyl)amino]piperidine-1-carboxylate
PubChem CID86841427
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Namemethyl 4-[(3-cyanobenzoyl)amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)c2cccc(C#N)c2)CC1
InChIInChI=1S/C15H17N3O3/c1-21-15(20)18-7-5-13(6-8-18)17-14(19)12-4-2-3-11(9-12)10-16/h2-4,9,13H,5-8H2,1H3,(H,17,19)
InChIKeyVWCQVDVQOBBHJO-UHFFFAOYSA-N
XLogP1.52
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-acetylpiperidin-4-yl)-3-cyanobenzamide
CID 46612755
N-(1-acetylpyrrolidin-3-yl)-3-cyanobenzamide
CID 110871344
methyl 4-[(3-bromobenzoyl)amino]piperidine-1-carboxylate
CID 47392498
3-cyano-N-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide
CID 95051706
3-cyano-N-[1-(furan-3-carbonyl)piperidin-4-yl]benzamide
CID 38209527
N-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110820488
N-[1-[chloro-[4-[(3-cyanobenzoyl)amino]piperidin-1-yl]oxyphosphoryl]oxypiperidin-4-yl]-3-cyanobenzamide
CID 175065160
3-cyano-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide
CID 110820149
3-cyano-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
CID 110819738
3-cyano-N-[1-[ethoxy(methyl)phosphoryl]piperidin-4-yl]benzamide;ethane
CID 144513048
butyl 4-[(3-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559738
ethyl 4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate
CID 17473701

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-cyanobenzoyl)amino]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[(3-cyanobenzoyl)amino]piperidine-1-carboxylate (CID 86841427) is methyl 4-[(3-cyanobenzoyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[(3-cyanobenzoyl)amino]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[(3-cyanobenzoyl)amino]piperidine-1-carboxylate is COC(=O)N1CCC(NC(=O)c2cccc(C#N)c2)CC1.
What is the InChIKey of methyl 4-[(3-cyanobenzoyl)amino]piperidine-1-carboxylate?
The InChIKey is VWCQVDVQOBBHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-21-15(20)18-7-5-13(6-8-18)17-14(19)12-4-2-3-11(9-12)10-16/h2-4,9,13H,5-8H2,1H3,(H,17,19).
What are the key properties of methyl 4-[(3-cyanobenzoyl)amino]piperidine-1-carboxylate?
methyl 4-[(3-cyanobenzoyl)amino]piperidine-1-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-cyanobenzoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 86841427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).