3-(2-pyridin-3-ylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

C22H28N4O — CID 120755177

IUPAC3-(2-pyridin-3-ylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESO=C(CCN1CCNCC1c1cccnc1)NC1CCCc2ccccc21
InChIInChI=1S/C22H28N4O/c27-22(25-20-9-3-6-17-5-1-2-8-19(17)20)10-13-26-14-12-24-16-21(26)18-7-4-11-23-15-18/h1-2,4-5,7-8,11,15,20-21,24H,3,6,9-10,12-14,16H2,(H,25,27)
InChIKeyKUJYHRGNSZTKFM-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.61
Rot. Bonds5

About 3-(2-pyridin-3-ylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

3-(2-pyridin-3-ylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (PubChem CID 120755177) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-(2-pyridin-3-ylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.

Molecular Properties

Compound Name3-(2-pyridin-3-ylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
PubChem CID120755177
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name3-(2-pyridin-3-ylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESO=C(CCN1CCNCC1c1cccnc1)NC1CCCc2ccccc21
InChIInChI=1S/C22H28N4O/c27-22(25-20-9-3-6-17-5-1-2-8-19(17)20)10-13-26-14-12-24-16-21(26)18-7-4-11-23-15-18/h1-2,4-5,7-8,11,15,20-21,24H,3,6,9-10,12-14,16H2,(H,25,27)
InChIKeyKUJYHRGNSZTKFM-UHFFFAOYSA-N
XLogP2.61
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 120753701
N-(2,5-dichlorophenyl)-3-(2-pyridin-3-ylpiperazin-1-yl)propanamide
CID 120754693
2-(1,4-diazepan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 119905959
(2S)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-2-carboxylic acid
CID 125118742
N-(cyclopropylcarbamoyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755106
2-(2-pyridin-3-ylpiperazin-1-yl)ethanamine
CID 120754253
N-benzyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755244
3-(4-hydroxypiperidin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 110882834
2-(5-oxo-1,4-diazepan-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 164634917
N-cycloheptyl-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propanamide
CID 95121735
1-(pyridin-2-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide
CID 67103104
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754481

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-3-ylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The IUPAC name of 3-(2-pyridin-3-ylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (CID 120755177) is 3-(2-pyridin-3-ylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.
What is the SMILES notation for 3-(2-pyridin-3-ylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The canonical SMILES for 3-(2-pyridin-3-ylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is O=C(CCN1CCNCC1c1cccnc1)NC1CCCc2ccccc21.
What is the InChIKey of 3-(2-pyridin-3-ylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The InChIKey is KUJYHRGNSZTKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c27-22(25-20-9-3-6-17-5-1-2-8-19(17)20)10-13-26-14-12-24-16-21(26)18-7-4-11-23-15-18/h1-2,4-5,7-8,11,15,20-21,24H,3,6,9-10,12-14,16H2,(H,25,27).
What are the key properties of 3-(2-pyridin-3-ylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
3-(2-pyridin-3-ylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide has a molecular weight of 364.49 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-3-ylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is sourced from PubChem (CID 120755177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).