methyl (3R,5S)-1-[(2-amino-4-pyridinyl)methyl]-5-phenylpiperidine-3-carboxylate

C19H23N3O2 — CID 124626203

IUPACmethyl (3R,5S)-1-[(2-amino-4-pyridinyl)methyl]-5-phenylpiperidine-3-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(Cc2ccnc(N)c2)C1
InChIInChI=1S/C19H23N3O2/c1-24-19(23)17-10-16(15-5-3-2-4-6-15)12-22(13-17)11-14-7-8-21-18(20)9-14/h2-9,16-17H,10-13H2,1H3,(H2,20,21)/t16-,17-/m1/s1
InChIKeyOOMJFOXJNODLGH-IAGOWNOFSA-N
MW325.41 g/mol
LogP2.44
Rot. Bonds4

About methyl (3R,5S)-1-[(2-amino-4-pyridinyl)methyl]-5-phenylpiperidine-3-carboxylate

methyl (3R,5S)-1-[(2-amino-4-pyridinyl)methyl]-5-phenylpiperidine-3-carboxylate (PubChem CID 124626203) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is methyl (3R,5S)-1-[(2-amino-4-pyridinyl)methyl]-5-phenylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R,5S)-1-[(2-amino-4-pyridinyl)methyl]-5-phenylpiperidine-3-carboxylate
PubChem CID124626203
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Namemethyl (3R,5S)-1-[(2-amino-4-pyridinyl)methyl]-5-phenylpiperidine-3-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(Cc2ccnc(N)c2)C1
InChIInChI=1S/C19H23N3O2/c1-24-19(23)17-10-16(15-5-3-2-4-6-15)12-22(13-17)11-14-7-8-21-18(20)9-14/h2-9,16-17H,10-13H2,1H3,(H2,20,21)/t16-,17-/m1/s1
InChIKeyOOMJFOXJNODLGH-IAGOWNOFSA-N
XLogP2.44
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (3R,5S)-1-[(2-amino-4-pyridinyl)methyl]-5-phenylpiperidine-3-carboxylate?
The IUPAC name of methyl (3R,5S)-1-[(2-amino-4-pyridinyl)methyl]-5-phenylpiperidine-3-carboxylate (CID 124626203) is methyl (3R,5S)-1-[(2-amino-4-pyridinyl)methyl]-5-phenylpiperidine-3-carboxylate.
What is the SMILES notation for methyl (3R,5S)-1-[(2-amino-4-pyridinyl)methyl]-5-phenylpiperidine-3-carboxylate?
The canonical SMILES for methyl (3R,5S)-1-[(2-amino-4-pyridinyl)methyl]-5-phenylpiperidine-3-carboxylate is COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(Cc2ccnc(N)c2)C1.
What is the InChIKey of methyl (3R,5S)-1-[(2-amino-4-pyridinyl)methyl]-5-phenylpiperidine-3-carboxylate?
The InChIKey is OOMJFOXJNODLGH-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-24-19(23)17-10-16(15-5-3-2-4-6-15)12-22(13-17)11-14-7-8-21-18(20)9-14/h2-9,16-17H,10-13H2,1H3,(H2,20,21)/t16-,17-/m1/s1.
What are the key properties of methyl (3R,5S)-1-[(2-amino-4-pyridinyl)methyl]-5-phenylpiperidine-3-carboxylate?
methyl (3R,5S)-1-[(2-amino-4-pyridinyl)methyl]-5-phenylpiperidine-3-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,5S)-1-[(2-amino-4-pyridinyl)methyl]-5-phenylpiperidine-3-carboxylate is sourced from PubChem (CID 124626203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).