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

C28H34N4O2 — CID 118756279

IUPAC4-methyl-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]benzamide
SMILESCc1ccc(C(=O)NCC(C)Oc2ccc(CN3CCN(Cc4cccnc4)CC3)cc2)cc1
InChIInChI=1S/C28H34N4O2/c1-22-5-9-26(10-6-22)28(33)30-18-23(2)34-27-11-7-24(8-12-27)20-31-14-16-32(17-15-31)21-25-4-3-13-29-19-25/h3-13,19,23H,14-18,20-21H2,1-2H3,(H,30,33)
InChIKeyBFMULMCNNYKEMI-UHFFFAOYSA-N
MW458.61 g/mol
LogP3.91
Rot. Bonds9

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

4-methyl-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]benzamide (PubChem CID 118756279) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 4-methyl-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]benzamide
PubChem CID118756279
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC Name4-methyl-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]benzamide
SMILESCc1ccc(C(=O)NCC(C)Oc2ccc(CN3CCN(Cc4cccnc4)CC3)cc2)cc1
InChIInChI=1S/C28H34N4O2/c1-22-5-9-26(10-6-22)28(33)30-18-23(2)34-27-11-7-24(8-12-27)20-31-14-16-32(17-15-31)21-25-4-3-13-29-19-25/h3-13,19,23H,14-18,20-21H2,1-2H3,(H,30,33)
InChIKeyBFMULMCNNYKEMI-UHFFFAOYSA-N
XLogP3.91
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]cyclohexanecarboxamide
CID 125173346
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
N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]-4-(trifluoromethyl)benzamide
CID 42168373
4-(4-methylpiperazin-1-yl)-N-(2-pyridin-3-yloxypropyl)benzamide
CID 90653299
4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 43921877
4-bromo-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]benzamide
CID 112807670
N-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47238319
methyl 4-[[4-(2-phenoxypropyl)piperazin-1-yl]methyl]benzoate
CID 54506508
4-methyl-N-[2-[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propyl]benzamide
CID 45174095

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]benzamide?
The IUPAC name of 4-methyl-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]benzamide (CID 118756279) is 4-methyl-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]benzamide is Cc1ccc(C(=O)NCC(C)Oc2ccc(CN3CCN(Cc4cccnc4)CC3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]benzamide?
The InChIKey is BFMULMCNNYKEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-22-5-9-26(10-6-22)28(33)30-18-23(2)34-27-11-7-24(8-12-27)20-31-14-16-32(17-15-31)21-25-4-3-13-29-19-25/h3-13,19,23H,14-18,20-21H2,1-2H3,(H,30,33).
What are the key properties of 4-methyl-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]benzamide?
4-methyl-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]benzamide has a molecular weight of 458.61 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]benzamide is sourced from PubChem (CID 118756279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).