N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]cyclohexanecarboxamide

C27H38N4O2 — CID 125173346

IUPACN-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]cyclohexanecarboxamide
SMILESC[C@H](CNC(=O)C1CCCCC1)Oc1ccc(CN2CCN(Cc3cccnc3)CC2)cc1
InChIInChI=1S/C27H38N4O2/c1-22(18-29-27(32)25-7-3-2-4-8-25)33-26-11-9-23(10-12-26)20-30-14-16-31(17-15-30)21-24-6-5-13-28-19-24/h5-6,9-13,19,22,25H,2-4,7-8,14-18,20-21H2,1H3,(H,29,32)/t22-/m1/s1
InChIKeyAHLZBELYYCGAKJ-JOCHJYFZSA-N
MW450.63 g/mol
LogP3.86
Rot. Bonds9

About N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]cyclohexanecarboxamide

N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]cyclohexanecarboxamide (PubChem CID 125173346) has the molecular formula C27H38N4O2 and a molecular weight of 450.63 g/mol. Its IUPAC name is N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]cyclohexanecarboxamide
PubChem CID125173346
Molecular FormulaC27H38N4O2
Molecular Weight450.63 g/mol
Exact Mass450.30
IUPAC NameN-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]cyclohexanecarboxamide
SMILESC[C@H](CNC(=O)C1CCCCC1)Oc1ccc(CN2CCN(Cc3cccnc3)CC2)cc1
InChIInChI=1S/C27H38N4O2/c1-22(18-29-27(32)25-7-3-2-4-8-25)33-26-11-9-23(10-12-26)20-30-14-16-31(17-15-30)21-24-6-5-13-28-19-24/h5-6,9-13,19,22,25H,2-4,7-8,14-18,20-21H2,1H3,(H,29,32)/t22-/m1/s1
InChIKeyAHLZBELYYCGAKJ-JOCHJYFZSA-N
XLogP3.86
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]cyclohexanecarboxamide with MolForge

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Related Compounds

2-methoxy-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]acetamide
CID 45249485
4-methyl-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]benzamide
CID 118756279
N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide
CID 125155019
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]pyridine-3-carboxamide
CID 45173659
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
(3S)-N-(cyclohexylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96572438
N-(1-methoxypropan-2-yl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 4614545
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
N-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47238319
3-cyclopentyl-2-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 136525753
2-(4-methoxyphenyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16895811

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]cyclohexanecarboxamide?
The IUPAC name of N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]cyclohexanecarboxamide (CID 125173346) is N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]cyclohexanecarboxamide is C[C@H](CNC(=O)C1CCCCC1)Oc1ccc(CN2CCN(Cc3cccnc3)CC2)cc1.
What is the InChIKey of N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]cyclohexanecarboxamide?
The InChIKey is AHLZBELYYCGAKJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H38N4O2/c1-22(18-29-27(32)25-7-3-2-4-8-25)33-26-11-9-23(10-12-26)20-30-14-16-31(17-15-30)21-24-6-5-13-28-19-24/h5-6,9-13,19,22,25H,2-4,7-8,14-18,20-21H2,1H3,(H,29,32)/t22-/m1/s1.
What are the key properties of N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]cyclohexanecarboxamide?
N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]cyclohexanecarboxamide has a molecular weight of 450.63 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]cyclohexanecarboxamide is sourced from PubChem (CID 125173346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).