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

C27H31N3O2 — CID 45173659

IUPACN-[2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide
SMILESCC(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)
InChIKeyFKPUZFSDCPVJMM-UHFFFAOYSA-N
MW429.56 g/mol
LogP4.66
Rot. Bonds8

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

N-[2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide (PubChem CID 45173659) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is N-[2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide
PubChem CID45173659
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC NameN-[2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide
SMILESCC(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)
InChIKeyFKPUZFSDCPVJMM-UHFFFAOYSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide
CID 42407485
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-[2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide (CID 45173659) is N-[2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide is CC(CNC(=O)c1cccnc1)Oc1ccc(CN2CCC(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide?
The InChIKey is FKPUZFSDCPVJMM-UHFFFAOYSA-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).
What are the key properties of N-[2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide?
N-[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-[2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 45173659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).