[1-[3-amino-5-(3,5-dimethylphenyl)-4-pyridinyl]-4-hydroxypiperidin-4-yl]methylcarbamic acid

C20H26N4O3 — CID 118057907

IUPAC[1-[3-amino-5-(3,5-dimethylphenyl)-4-pyridinyl]-4-hydroxypiperidin-4-yl]methylcarbamic acid
SMILESCc1cc(C)cc(-c2cncc(N)c2N2CCC(O)(CNC(=O)O)CC2)c1
InChIInChI=1S/C20H26N4O3/c1-13-7-14(2)9-15(8-13)16-10-22-11-17(21)18(16)24-5-3-20(27,4-6-24)12-23-19(25)26/h7-11,23,27H,3-6,12,21H2,1-2H3,(H,25,26)
InChIKeyCACPJGVJCXKSGL-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.55
Rot. Bonds4

About [1-[3-amino-5-(3,5-dimethylphenyl)-4-pyridinyl]-4-hydroxypiperidin-4-yl]methylcarbamic acid

[1-[3-amino-5-(3,5-dimethylphenyl)-4-pyridinyl]-4-hydroxypiperidin-4-yl]methylcarbamic acid (PubChem CID 118057907) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is [1-[3-amino-5-(3,5-dimethylphenyl)-4-pyridinyl]-4-hydroxypiperidin-4-yl]methylcarbamic acid.

Molecular Properties

Compound Name[1-[3-amino-5-(3,5-dimethylphenyl)-4-pyridinyl]-4-hydroxypiperidin-4-yl]methylcarbamic acid
PubChem CID118057907
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name[1-[3-amino-5-(3,5-dimethylphenyl)-4-pyridinyl]-4-hydroxypiperidin-4-yl]methylcarbamic acid
SMILESCc1cc(C)cc(-c2cncc(N)c2N2CCC(O)(CNC(=O)O)CC2)c1
InChIInChI=1S/C20H26N4O3/c1-13-7-14(2)9-15(8-13)16-10-22-11-17(21)18(16)24-5-3-20(27,4-6-24)12-23-19(25)26/h7-11,23,27H,3-6,12,21H2,1-2H3,(H,25,26)
InChIKeyCACPJGVJCXKSGL-UHFFFAOYSA-N
XLogP2.55
TPSA111.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[3-amino-5-(3,5-dimethylphenyl)-4-pyridinyl]-4-hydroxypiperidin-4-yl]methylcarbamic acid?
The IUPAC name of [1-[3-amino-5-(3,5-dimethylphenyl)-4-pyridinyl]-4-hydroxypiperidin-4-yl]methylcarbamic acid (CID 118057907) is [1-[3-amino-5-(3,5-dimethylphenyl)-4-pyridinyl]-4-hydroxypiperidin-4-yl]methylcarbamic acid.
What is the SMILES notation for [1-[3-amino-5-(3,5-dimethylphenyl)-4-pyridinyl]-4-hydroxypiperidin-4-yl]methylcarbamic acid?
The canonical SMILES for [1-[3-amino-5-(3,5-dimethylphenyl)-4-pyridinyl]-4-hydroxypiperidin-4-yl]methylcarbamic acid is Cc1cc(C)cc(-c2cncc(N)c2N2CCC(O)(CNC(=O)O)CC2)c1.
What is the InChIKey of [1-[3-amino-5-(3,5-dimethylphenyl)-4-pyridinyl]-4-hydroxypiperidin-4-yl]methylcarbamic acid?
The InChIKey is CACPJGVJCXKSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-13-7-14(2)9-15(8-13)16-10-22-11-17(21)18(16)24-5-3-20(27,4-6-24)12-23-19(25)26/h7-11,23,27H,3-6,12,21H2,1-2H3,(H,25,26).
What are the key properties of [1-[3-amino-5-(3,5-dimethylphenyl)-4-pyridinyl]-4-hydroxypiperidin-4-yl]methylcarbamic acid?
[1-[3-amino-5-(3,5-dimethylphenyl)-4-pyridinyl]-4-hydroxypiperidin-4-yl]methylcarbamic acid has a molecular weight of 370.45 g/mol, XLogP of 2.55, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-amino-5-(3,5-dimethylphenyl)-4-pyridinyl]-4-hydroxypiperidin-4-yl]methylcarbamic acid is sourced from PubChem (CID 118057907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).