4-(4-methylpiperazin-1-yl)-N-(2-pyridin-3-yloxypropyl)benzamide

C20H26N4O2 — CID 90653299

IUPAC4-(4-methylpiperazin-1-yl)-N-(2-pyridin-3-yloxypropyl)benzamide
SMILESCC(CNC(=O)c1ccc(N2CCN(C)CC2)cc1)Oc1cccnc1
InChIInChI=1S/C20H26N4O2/c1-16(26-19-4-3-9-21-15-19)14-22-20(25)17-5-7-18(8-6-17)24-12-10-23(2)11-13-24/h3-9,15-16H,10-14H2,1-2H3,(H,22,25)
InChIKeyBOTHATZVKHZWLH-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.03
Rot. Bonds6

About 4-(4-methylpiperazin-1-yl)-N-(2-pyridin-3-yloxypropyl)benzamide

4-(4-methylpiperazin-1-yl)-N-(2-pyridin-3-yloxypropyl)benzamide (PubChem CID 90653299) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-N-(2-pyridin-3-yloxypropyl)benzamide.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-N-(2-pyridin-3-yloxypropyl)benzamide
PubChem CID90653299
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name4-(4-methylpiperazin-1-yl)-N-(2-pyridin-3-yloxypropyl)benzamide
SMILESCC(CNC(=O)c1ccc(N2CCN(C)CC2)cc1)Oc1cccnc1
InChIInChI=1S/C20H26N4O2/c1-16(26-19-4-3-9-21-15-19)14-22-20(25)17-5-7-18(8-6-17)24-12-10-23(2)11-13-24/h3-9,15-16H,10-14H2,1-2H3,(H,22,25)
InChIKeyBOTHATZVKHZWLH-UHFFFAOYSA-N
XLogP2.03
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-pyridin-3-yloxypropyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 95130947
4-methyl-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]benzamide
CID 118756279
4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(2-pyridin-3-yloxypropyl)benzamide
CID 45231940
N-(2-pyridin-3-yloxypropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 135099380
4-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043983
2-ethylsulfanyl-N-[(2R)-2-pyridin-3-yloxypropyl]acetamide
CID 124753809
3-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzamide
CID 125445501
2,5-dimethyl-N-(2-pyridin-3-yloxypropyl)furan-3-carboxamide
CID 90649337
4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108617
N-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyridin-3-yloxybenzamide
CID 47993620
1-(4-methoxyphenyl)-N-(2-pyridin-3-yloxypropyl)cyclopentane-1-carboxamide
CID 90649820
N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]-4-(trifluoromethyl)benzamide
CID 42168373

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-N-(2-pyridin-3-yloxypropyl)benzamide?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-N-(2-pyridin-3-yloxypropyl)benzamide (CID 90653299) is 4-(4-methylpiperazin-1-yl)-N-(2-pyridin-3-yloxypropyl)benzamide.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-N-(2-pyridin-3-yloxypropyl)benzamide?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-N-(2-pyridin-3-yloxypropyl)benzamide is CC(CNC(=O)c1ccc(N2CCN(C)CC2)cc1)Oc1cccnc1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-N-(2-pyridin-3-yloxypropyl)benzamide?
The InChIKey is BOTHATZVKHZWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-16(26-19-4-3-9-21-15-19)14-22-20(25)17-5-7-18(8-6-17)24-12-10-23(2)11-13-24/h3-9,15-16H,10-14H2,1-2H3,(H,22,25).
What are the key properties of 4-(4-methylpiperazin-1-yl)-N-(2-pyridin-3-yloxypropyl)benzamide?
4-(4-methylpiperazin-1-yl)-N-(2-pyridin-3-yloxypropyl)benzamide has a molecular weight of 354.45 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-N-(2-pyridin-3-yloxypropyl)benzamide is sourced from PubChem (CID 90653299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).