N-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide

C27H31N3O2 — CID 42407485

IUPACN-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide
SMILESC[C@H](CNC(=O)c1cccnc1)Oc1ccc(CN2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C27H31N3O2/c1-21(18-29-27(31)25-8-5-15-28-19-25)32-26-11-9-22(10-12-26)20-30-16-13-24(14-17-30)23-6-3-2-4-7-23/h2-12,15,19,21,24H,13-14,16-18,20H2,1H3,(H,29,31)/t21-/m1/s1
InChIKeyFKPUZFSDCPVJMM-OAQYLSRUSA-N
MW429.56 g/mol
LogP4.66
Rot. Bonds8

About N-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide

N-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide (PubChem CID 42407485) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is N-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide
PubChem CID42407485
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC NameN-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide
SMILESC[C@H](CNC(=O)c1cccnc1)Oc1ccc(CN2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C27H31N3O2/c1-21(18-29-27(31)25-8-5-15-28-19-25)32-26-11-9-22(10-12-26)20-30-16-13-24(14-17-30)23-6-3-2-4-7-23/h2-12,15,19,21,24H,13-14,16-18,20H2,1H3,(H,29,31)/t21-/m1/s1
InChIKeyFKPUZFSDCPVJMM-OAQYLSRUSA-N
XLogP4.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide
CID 45173659
N-[2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]-1,3-thiazole-5-carboxamide
CID 45179702
N-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]thiophene-2-carboxamide
CID 42472395
4-methyl-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]benzamide
CID 118756279
(2S)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-1-amine
CID 125173222
N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]cyclohexanecarboxamide
CID 125173346
N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide
CID 125155019
2-methoxy-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]acetamide
CID 45249485
[(3S)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 125158524
[(3R)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 125158523
N-[(1-benzylpiperidin-4-yl)methylideneamino]pyridine-3-carboxamide
CID 175105269
N-hydroxy-4-[(4-phenylpiperidin-1-yl)methyl]benzamide
CID 163366143

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide (CID 42407485) is N-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide is C[C@H](CNC(=O)c1cccnc1)Oc1ccc(CN2CCC(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide?
The InChIKey is FKPUZFSDCPVJMM-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-21(18-29-27(31)25-8-5-15-28-19-25)32-26-11-9-22(10-12-26)20-30-16-13-24(14-17-30)23-6-3-2-4-7-23/h2-12,15,19,21,24H,13-14,16-18,20H2,1H3,(H,29,31)/t21-/m1/s1.
What are the key properties of N-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide?
N-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide has a molecular weight of 429.56 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 42407485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).