1-(5-cyano-2-methylphenyl)-4-hydroxypiperidine-4-carboxamide

C14H17N3O2 — CID 68689725

IUPAC1-(5-cyano-2-methylphenyl)-4-hydroxypiperidine-4-carboxamide
SMILESCc1ccc(C#N)cc1N1CCC(O)(C(N)=O)CC1
InChIInChI=1S/C14H17N3O2/c1-10-2-3-11(9-15)8-12(10)17-6-4-14(19,5-7-17)13(16)18/h2-3,8,19H,4-7H2,1H3,(H2,16,18)
InChIKeyXBVMXVCULVPOSO-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.68
Rot. Bonds2

About 1-(5-cyano-2-methylphenyl)-4-hydroxypiperidine-4-carboxamide

1-(5-cyano-2-methylphenyl)-4-hydroxypiperidine-4-carboxamide (PubChem CID 68689725) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(5-cyano-2-methylphenyl)-4-hydroxypiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-cyano-2-methylphenyl)-4-hydroxypiperidine-4-carboxamide
PubChem CID68689725
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-(5-cyano-2-methylphenyl)-4-hydroxypiperidine-4-carboxamide
SMILESCc1ccc(C#N)cc1N1CCC(O)(C(N)=O)CC1
InChIInChI=1S/C14H17N3O2/c1-10-2-3-11(9-15)8-12(10)17-6-4-14(19,5-7-17)13(16)18/h2-3,8,19H,4-7H2,1H3,(H2,16,18)
InChIKeyXBVMXVCULVPOSO-UHFFFAOYSA-N
XLogP0.68
TPSA90.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-methylphenyl)-4-hydroxypiperidine-4-carboxamide?
The IUPAC name of 1-(5-cyano-2-methylphenyl)-4-hydroxypiperidine-4-carboxamide (CID 68689725) is 1-(5-cyano-2-methylphenyl)-4-hydroxypiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-cyano-2-methylphenyl)-4-hydroxypiperidine-4-carboxamide?
The canonical SMILES for 1-(5-cyano-2-methylphenyl)-4-hydroxypiperidine-4-carboxamide is Cc1ccc(C#N)cc1N1CCC(O)(C(N)=O)CC1.
What is the InChIKey of 1-(5-cyano-2-methylphenyl)-4-hydroxypiperidine-4-carboxamide?
The InChIKey is XBVMXVCULVPOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-2-3-11(9-15)8-12(10)17-6-4-14(19,5-7-17)13(16)18/h2-3,8,19H,4-7H2,1H3,(H2,16,18).
What are the key properties of 1-(5-cyano-2-methylphenyl)-4-hydroxypiperidine-4-carboxamide?
1-(5-cyano-2-methylphenyl)-4-hydroxypiperidine-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-methylphenyl)-4-hydroxypiperidine-4-carboxamide is sourced from PubChem (CID 68689725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).