1-(4-amino-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide

C25H28N4O2 — CID 44573291

IUPAC1-(4-amino-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2(c3ccccc3)CCN(c3cc(N)ccn3)CC2)cc1
InChIInChI=1S/C25H28N4O2/c1-31-22-9-7-19(8-10-22)18-28-24(30)25(20-5-3-2-4-6-20)12-15-29(16-13-25)23-17-21(26)11-14-27-23/h2-11,14,17H,12-13,15-16,18H2,1H3,(H2,26,27)(H,28,30)
InChIKeyAZMAXBLMFRAXJU-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.53
Rot. Bonds6

About 1-(4-amino-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide

1-(4-amino-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide (PubChem CID 44573291) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 1-(4-amino-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-amino-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide
PubChem CID44573291
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name1-(4-amino-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2(c3ccccc3)CCN(c3cc(N)ccn3)CC2)cc1
InChIInChI=1S/C25H28N4O2/c1-31-22-9-7-19(8-10-22)18-28-24(30)25(20-5-3-2-4-6-20)12-15-29(16-13-25)23-17-21(26)11-14-27-23/h2-11,14,17H,12-13,15-16,18H2,1H3,(H2,26,27)(H,28,30)
InChIKeyAZMAXBLMFRAXJU-UHFFFAOYSA-N
XLogP3.53
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-amino-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide (CID 44573291) is 1-(4-amino-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-amino-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-amino-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide is COc1ccc(CNC(=O)C2(c3ccccc3)CCN(c3cc(N)ccn3)CC2)cc1.
What is the InChIKey of 1-(4-amino-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide?
The InChIKey is AZMAXBLMFRAXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-31-22-9-7-19(8-10-22)18-28-24(30)25(20-5-3-2-4-6-20)12-15-29(16-13-25)23-17-21(26)11-14-27-23/h2-11,14,17H,12-13,15-16,18H2,1H3,(H2,26,27)(H,28,30).
What are the key properties of 1-(4-amino-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide?
1-(4-amino-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 44573291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).