N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide

C25H27N3O2 — CID 134796997

IUPACN-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1ccccc1-c1cccc(CN2CCC(NC(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C25H27N3O2/c1-30-24-10-3-2-9-23(24)20-7-4-6-19(16-20)18-28-14-11-22(12-15-28)27-25(29)21-8-5-13-26-17-21/h2-10,13,16-17,22H,11-12,14-15,18H2,1H3,(H,27,29)
InChIKeyRFPXNZYJOHJFRT-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.15
Rot. Bonds6

About N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide

N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 134796997) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID134796997
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1ccccc1-c1cccc(CN2CCC(NC(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C25H27N3O2/c1-30-24-10-3-2-9-23(24)20-7-4-6-19(16-20)18-28-14-11-22(12-15-28)27-25(29)21-8-5-13-26-17-21/h2-10,13,16-17,22H,11-12,14-15,18H2,1H3,(H,27,29)
InChIKeyRFPXNZYJOHJFRT-UHFFFAOYSA-N
XLogP4.15
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide (CID 134796997) is N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide is COc1ccccc1-c1cccc(CN2CCC(NC(=O)c3cccnc3)CC2)c1.
What is the InChIKey of N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is RFPXNZYJOHJFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-30-24-10-3-2-9-23(24)20-7-4-6-19(16-20)18-28-14-11-22(12-15-28)27-25(29)21-8-5-13-26-17-21/h2-10,13,16-17,22H,11-12,14-15,18H2,1H3,(H,27,29).
What are the key properties of N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 134796997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).