methyl 4-[(2-cyanophenyl)carbamoyl]piperidine-1-carboxylate

C15H17N3O3 — CID 110754248

IUPACmethyl 4-[(2-cyanophenyl)carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C(=O)Nc2ccccc2C#N)CC1
InChIInChI=1S/C15H17N3O3/c1-21-15(20)18-8-6-11(7-9-18)14(19)17-13-5-3-2-4-12(13)10-16/h2-5,11H,6-9H2,1H3,(H,17,19)
InChIKeyNGOXOIMWOOMDSO-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.98
Rot. Bonds2

About methyl 4-[(2-cyanophenyl)carbamoyl]piperidine-1-carboxylate

methyl 4-[(2-cyanophenyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 110754248) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 4-[(2-cyanophenyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-cyanophenyl)carbamoyl]piperidine-1-carboxylate
PubChem CID110754248
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Namemethyl 4-[(2-cyanophenyl)carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C(=O)Nc2ccccc2C#N)CC1
InChIInChI=1S/C15H17N3O3/c1-21-15(20)18-8-6-11(7-9-18)14(19)17-13-5-3-2-4-12(13)10-16/h2-5,11H,6-9H2,1H3,(H,17,19)
InChIKeyNGOXOIMWOOMDSO-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butanoyl-N-(2-cyanophenyl)piperidine-4-carboxamide
CID 113008689
N-(2-cyanophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 110673965
N-(2-cyanophenyl)-4-methylcyclohexane-1-carboxamide
CID 79005674
N-(2-cyanophenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223693
4-N-(2-chlorophenyl)-1-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109150947
4-N-(2-cyanophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150350
N-(2-cyanophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113008728
N-(2-cyanophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113008709
methyl 1-[2-(2-cyanoanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112731411
N-(2-cyanophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106737104
1-N-(2-cyanophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149507
1-[1-(2-cyanoanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 17487362

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-cyanophenyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[(2-cyanophenyl)carbamoyl]piperidine-1-carboxylate (CID 110754248) is methyl 4-[(2-cyanophenyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[(2-cyanophenyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[(2-cyanophenyl)carbamoyl]piperidine-1-carboxylate is COC(=O)N1CCC(C(=O)Nc2ccccc2C#N)CC1.
What is the InChIKey of methyl 4-[(2-cyanophenyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is NGOXOIMWOOMDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-21-15(20)18-8-6-11(7-9-18)14(19)17-13-5-3-2-4-12(13)10-16/h2-5,11H,6-9H2,1H3,(H,17,19).
What are the key properties of methyl 4-[(2-cyanophenyl)carbamoyl]piperidine-1-carboxylate?
methyl 4-[(2-cyanophenyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-cyanophenyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 110754248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).