N-(3-cyanophenyl)-4-hydroxypiperidine-1-carboxamide

C13H15N3O2 — CID 43428230

IUPACN-(3-cyanophenyl)-4-hydroxypiperidine-1-carboxamide
SMILESN#Cc1cccc(NC(=O)N2CCC(O)CC2)c1
InChIInChI=1S/C13H15N3O2/c14-9-10-2-1-3-11(8-10)15-13(18)16-6-4-12(17)5-7-16/h1-3,8,12,17H,4-7H2,(H,15,18)
InChIKeyYEHDTKGMIJUQFJ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.55
Rot. Bonds1

About N-(3-cyanophenyl)-4-hydroxypiperidine-1-carboxamide

N-(3-cyanophenyl)-4-hydroxypiperidine-1-carboxamide (PubChem CID 43428230) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-hydroxypiperidine-1-carboxamide
PubChem CID43428230
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(3-cyanophenyl)-4-hydroxypiperidine-1-carboxamide
SMILESN#Cc1cccc(NC(=O)N2CCC(O)CC2)c1
InChIInChI=1S/C13H15N3O2/c14-9-10-2-1-3-11(8-10)15-13(18)16-6-4-12(17)5-7-16/h1-3,8,12,17H,4-7H2,(H,15,18)
InChIKeyYEHDTKGMIJUQFJ-UHFFFAOYSA-N
XLogP1.55
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-4-hydroxypiperidine-1-carboxamide (CID 43428230) is N-(3-cyanophenyl)-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-4-hydroxypiperidine-1-carboxamide is N#Cc1cccc(NC(=O)N2CCC(O)CC2)c1.
What is the InChIKey of N-(3-cyanophenyl)-4-hydroxypiperidine-1-carboxamide?
The InChIKey is YEHDTKGMIJUQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-9-10-2-1-3-11(8-10)15-13(18)16-6-4-12(17)5-7-16/h1-3,8,12,17H,4-7H2,(H,15,18).
What are the key properties of N-(3-cyanophenyl)-4-hydroxypiperidine-1-carboxamide?
N-(3-cyanophenyl)-4-hydroxypiperidine-1-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 43428230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).