N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide

C23H30N4O2 — CID 10715654

IUPACN-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCOc1cccc2c1CCCC2NC(=O)CCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H30N4O2/c1-29-21-9-5-6-18-19(21)7-4-8-20(18)25-23(28)11-13-26-14-16-27(17-15-26)22-10-2-3-12-24-22/h2-3,5-6,9-10,12,20H,4,7-8,11,13-17H2,1H3,(H,25,28)
InChIKeyYPSAZTJQMLGSGT-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.80
Rot. Bonds6

About N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide

N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide (PubChem CID 10715654) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
PubChem CID10715654
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCOc1cccc2c1CCCC2NC(=O)CCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H30N4O2/c1-29-21-9-5-6-18-19(21)7-4-8-20(18)25-23(28)11-13-26-14-16-27(17-15-26)22-10-2-3-12-24-22/h2-3,5-6,9-10,12,20H,4,7-8,11,13-17H2,1H3,(H,25,28)
InChIKeyYPSAZTJQMLGSGT-UHFFFAOYSA-N
XLogP2.80
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2,6-Bis(propan-2-yl)phenyl]-3-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]urea
CID 9893095
1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-4-pyridin-2-yl-piperazine
CID 10474042
1-[3-(5-Methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)-propyl]-4-pyridin-2-yl-piperazine
CID 10248163
3-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 10783358
cis-1-(4-(3-Methoxyphenyl)cyclohexyl)-4-(pyridin-2-yl)piperazine
CID 10020855
cis-1-(4-(2-Methoxyphenyl)cyclohexyl)-4-(pyridin-2-yl)piperazine
CID 10871856
1-(2-(7-Methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl)-4-(pyridine-2-yl)piperazine
CID 10948133
[1-[(2-Amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)piperidin-1-yl]methanone
CID 44622341
1-[3-(5-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-pyridin-2-yl-piperazine
CID 9975973
1-[3-(7-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-4-pyridin-2-yl-piperazine
CID 10090269
1-[3-(7-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-pyridin-2-yl-piperazine
CID 10248164
N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylpiperidine-1-carboxamide
CID 164575485

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide (CID 10715654) is N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is COc1cccc2c1CCCC2NC(=O)CCN1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is YPSAZTJQMLGSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-29-21-9-5-6-18-19(21)7-4-8-20(18)25-23(28)11-13-26-14-16-27(17-15-26)22-10-2-3-12-24-22/h2-3,5-6,9-10,12,20H,4,7-8,11,13-17H2,1H3,(H,25,28).
What are the key properties of N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 394.52 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 10715654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).